!DETAILED LOW T AND HIGH T MECHANISM FOR SPECIES UP TO C12 + Xylenes (XYLENE) ! !5/20/2012 !Version:Xylene+C12_v1.mech !Authors:M. Mehl, M. Sarathy, C. Westbrook, W. Pitz !LLNL ELEMENTS C H N O AR HE END SPECIES H H2 O O2 OH H2O N2 HO2 H2O2 AR CO CO2 CH2O HCO HO2CHO O2CHO HOCHO OCHO HOCH2O2H HOCH2O2 OCH2O2H HOCH2O CH3OH CH2OH CH3O CH3O2H CH3O2 CH4 CH3 CH2 CH2(S) C CH C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CHO CH3CO CH2CHO CH2CO HCCO HCCOH CH3CO3H CH3CO3 CH3CO2 C2H5OH C2H5O PC2H4OH SC2H4OH O2C2H4OH C2H5O2H C2H5O2 C2H4O2H C2H4O1-2 C2H3O1-2 CH3COCH3 CH3COCH2 CH3COCH2O2 CH3COCH2O2H CH3COCH2O C2H3CHO C2H3CO C2H5CHO C2H5CO CH3OCH3 CH3OCH2 CH3OCH2O2 CH2OCH2O2H CH3OCH2O2H CH3OCH2O O2CH2OCH2O2H HO2CH2OCHO OCH2OCHO HOCH2OCO CH3OCHO CH3OCO CH2OCHO HE C3H8 IC3H7 NC3H7 C3H6 C3H5-A C3H5-S C3H5-T C3H4-P C3H4-A C3H3 C3H2 C3H5O C3H6OOH1-2 C3H6OOH1-3 C3H6OOH2-1 C3H6OOH1-2O2 C3H6OOH1-3O2 C3H6OOH2-1O2 C3H6OOH2-2 NC3H7O2H IC3H7O2H NC3H7O2 IC3H7O2 NC3H7O IC3H7O C3H6O1-2 C3H6O1-3 C3KET12 C3KET13 C3KET21 C3H51-2,3OOH C3H52-1,3OOH C3H6OH HOC3H6O2 CH3CHCO AC3H5OOH C2H3OOH C4H10 C4H8-1 C4H8-2 PC4H9 SC4H9 C4H71-1 C4H71-2 C4H71-3 C4H71-4 C4H72-2 C4H6 PC4H9O2H SC4H9O2H PC4H9O2 SC4H9O2 PC4H9O SC4H9O C4H7O C4H8O1-2 C4H8O1-3 C4H8O1-4 C4H8O2-3 PC4H8OH SC4H8OH C4H8OH-1O2 C4H8OH-2O2 C4H8OOH1-1 C4H8OOH1-2 C4H8OOH1-3 C4H8OOH1-4 C4H8OOH2-1 C4H8OOH2-2 C4H8OOH2-3 C4H8OOH2-4 C4H8OOH1-2O2 C4H8OOH1-3O2 C4H8OOH1-4O2 C4H8OOH2-1O2 C4H8OOH2-3O2 C4H8OOH2-4O2 NC4KET12 NC4KET13 NC4KET14 NC4KET21 NC4KET23 NC4KET24 C2H5COCH3 C2H5COCH2 CH2CH2COCH3 CH3CHCOCH3 C2H3COCH3 CH3CHOOCOCH3 CH2CHOOHCOCH3 NC3H7CHO NC3H7CO C3H6CHO-1 C3H6CHO-2 C3H6CHO-3 C2H5CHCO SC3H5CHO SC3H5CO CH2CH2CHO IC4H10 IC4H9 TC4H9 IC4H8 IC4H7 TC4H9O2 IC4H9O2 TC4H8O2H-I IC4H8O2H-I IC4H8O2H-T IC4H8O CC4H8O IC4H9O TC4H9O IC4H9O2H TC4H9O2H IC4H7O IC4H8OH IO2C4H8OH IC3H7CHO TC3H6CHO IC3H7CO IC3H6CHO TC4H8OOH-IO2 IC4H8OOH-IO2 IC4H8OOH-TO2 IC4KETII IC4KETIT IC4H7OH IC4H6OH IC3H5CHO IC3H5CO TC3H6OCHO IC3H6CO IC4H7OOH TC3H6OHCHO TC3H6OH IC3H5OH TC3H6O2CHO TC3H6O2HCO IC3H5O2HCHO CH2CCH2OH TC4H8CHO O2C4H8CHO O2HC4H8CO C3H5OH TIC4H7Q2-I IIC4H7Q2-T IIC4H7Q2-I CH2O2H NC5H12 C5H11-1 C5H11-2 C5H11-3 C5H10-1 C5H10-2 C5H81-3 C5H91-3 C5H91-4 C5H91-5 C5H92-4 C5H92-5 C5H9O1-3 C5H9O2-4 C5H11O2H-1 C5H11O2H-2 C5H11O2H-3 C5H11O2-1 C5H11O2-2 C5H11O2-3 C5H11O-1 C5H11O-2 C5H11O-3 C5H10OOH1-2 C5H10OOH1-3 C5H10OOH1-4 C5H10OOH1-5 C5H10OOH2-1 C5H10OOH2-3 C5H10OOH2-4 C5H10OOH2-5 C5H10OOH3-2 C5H10OOH3-1 C5H10O1-2 C5H10O1-3 C5H10O1-4 C5H10O1-5 C5H10O2-3 C5H10O2-4 C5H10OOH1-2O2 C5H10OOH1-3O2 C5H10OOH1-4O2 C5H10OOH1-5O2 C5H10OOH2-1O2 C5H10OOH2-3O2 C5H10OOH2-4O2 C5H10OOH2-5O2 C5H10OOH3-1O2 C5H10OOH3-2O2 NC5KET12 NC5KET13 NC5KET14 NC5KET15 NC5KET21 NC5KET23 NC5KET24 NC5KET25 NC5KET31 NC5KET32 C5H10OH-1 C5H10OH-2 O2C5H10OH-1 O2C5H10OH-2 ! ! NC6H14 C6H13-1 C6H13-2 C6H13-3 C6H12-1 C6H12-2 C6H12-3 C6H111-3 C6H111-4 C6H111-5 C6H111-6 C6H112-4 C6H112-5 C6H112-6 C6H113-1 C6H11O1-3 C6H11O2-4 C6H12O1-2 C6H12O1-3 C6H12O1-4 C6H12O1-5 C6H12O2-3 C6H12O2-4 C6H12O2-5 C6H12O3-4 C6H13O2H-1 C6H13O2H-2 C6H13O2H-3 C6H13O2-1 C6H13O2-2 C6H13O2-3 C6H12OOH1-2 C6H12OOH1-3 C6H12OOH1-4 C6H12OOH1-5 C6H12OOH2-1 C6H12OOH2-3 C6H12OOH2-4 C6H12OOH2-5 C6H12OOH2-6 C6H12OOH3-1 C6H12OOH3-2 C6H12OOH3-4 C6H12OOH3-5 C6H12OOH3-6 C6H12OOH1-2O2 C6H12OOH1-3O2 C6H12OOH1-4O2 C6H12OOH1-5O2 C6H12OOH2-1O2 C6H12OOH2-3O2 C6H12OOH2-4O2 C6H12OOH2-5O2 C6H12OOH2-6O2 C6H12OOH3-1O2 C6H12OOH3-2O2 C6H12OOH3-4O2 C6H12OOH3-5O2 C6H12OOH3-6O2 NC6KET12 NC6KET13 NC6KET14 NC6KET15 NC6KET21 NC6KET23 NC6KET24 NC6KET25 NC6KET26 NC6KET31 NC6KET32 NC6KET34 NC6KET35 NC6KET36 C6H13O-1 C6H13O-2 C6H13O-3 C6H12OH-1 C6H12OH-2 C6H12OH-3 O2C6H12OH-1 O2C6H12OH-2 O2C6H12OH-3 NC4H9CHO NC4H9CO C4H8CHO-1 C4H8CHO-2 C4H8CHO-3 C4H8CHO-4 AC3H5CHO AC3H5CO C2H3CHCHO NC3H7COCH3 NC3H7COCH2 C3H6COCH3-1 C3H6COCH3-2 C3H6COCH3-3 C2H5COC2H5 C2H5COC2H4P C2H5COC2H4S C2H5COC2H3 PC2H4COC2H3 SC2H4COC2H3 NC7H16 C7H15-1 C7H15-2 C7H15-3 C7H15-4 C7H14-1 C7H14-2 C7H14-3 C7H131-3 C7H131-4 C7H131-5 C7H131-6 C7H131-7 C7H132-4 C7H132-5 C7H132-6 C7H132-7 C7H133-1 C7H133-5 C7H133-6 C7H133-7 C7H13O1-3 C7H13O2-4 C7H13O3-5 C7H15O2-1 C7H15O2-2 C7H15O2-3 C7H15O2-4 C7H15O2H-1 C7H15O2H-2 C7H15O2H-3 C7H15O2H-4 C7H15O-1 C7H15O-2 C7H15O-3 C7H15O-4 C7H14OOH1-2 C7H14OOH1-3 C7H14OOH1-4 C7H14OOH1-5 C7H14OOH2-1 C7H14OOH2-3 C7H14OOH2-4 C7H14OOH2-5 C7H14OOH2-6 C7H14OOH3-1 C7H14OOH3-2 C7H14OOH3-4 C7H14OOH3-5 C7H14OOH3-6 C7H14OOH3-7 C7H14OOH4-1 C7H14OOH4-2 C7H14OOH4-3 C7H14OOH1-2O2 C7H14OOH1-3O2 C7H14OOH1-4O2 C7H14OOH1-5O2 C7H14OOH2-1O2 C7H14OOH2-3O2 C7H14OOH2-4O2 C7H14OOH2-5O2 C7H14OOH2-6O2 C7H14OOH3-1O2 C7H14OOH3-2O2 C7H14OOH3-4O2 C7H14OOH3-5O2 C7H14OOH3-6O2 C7H14OOH3-7O2 C7H14OOH4-1O2 C7H14OOH4-2O2 C7H14OOH4-3O2 C7H14O1-2 C7H14O1-3 C7H14O1-4 C7H14O1-5 C7H14O2-3 C7H14O2-4 C7H14O2-5 C7H14O2-6 C7H14O3-4 C7H14O3-5 NC7KET12 NC7KET13 NC7KET14 NC7KET15 NC7KET21 NC7KET23 NC7KET24 NC7KET25 NC7KET26 NC7KET31 NC7KET32 NC7KET34 NC7KET35 NC7KET36 NC7KET37 NC7KET41 NC7KET42 NC7KET43 C7H14OH-1 C7H14OH-2 C7H14OH-3 O2C7H14OH-1 O2C7H14OH-2 O2C7H14OH-3 NC5H11CHO NC5H11CO C5H10CHO-1 C5H10CHO-2 C5H10CHO-3 C5H10CHO-4 C5H10CHO-5 C4H7CHO1-4 C4H7CO1-4 C4H6CHO1-43 C4H6CHO1-44 NC4H9COCH3 NC4H9COCH2 C4H8COCH3-1 C4H8COCH3-2 C4H8COCH3-3 C4H8COCH3-4 C4H7OOH1-4 C4H7O1-4 C5H9OOH1-4 C5H9O1-4 C5H9OOH1-5 C5H9O1-5 C6H11OOH1-4 C6H11O1-4 C6H11OOH1-5 C6H11O1-5 C5H91-1 C4H7CHO1-1 C4H7CO1-1 C4H6CHO1-14 C4H6CHO1-13 NC3H7COC2H5 C3H6COC2H5-1 C3H6COC2H5-2 C3H6COC2H5-3 NC3H7COC2H4P NC3H7COC2H4S CHCHCHO C6H101-3 C6H101-4 C6H101-5 C6H102-4 ETES1 MVOX VTHF EDHF ETC6 KES1 C6H111O2H-3 C6H111O2H-4 C6H111O2H-5 C6H111O2H-6 C6H112O2H-4 C6H112O2H-5 C6H112O2H-6 C6H113O2H-2 C6H113O2H-1 NC6D1KET34 NC6D1KET35 NC6D1KET36 NC6D1KET43 NC6D1KET45 NC6D1KET46 NC6D1KET53 NC6D1KET54 NC6D1KET56 NC6D1KET63 NC6D1KET64 NC6D1KET65 NC6D2KET45 NC6D2KET46 NC6D2KET54 NC6D2KET56 NC6D2KET64 NC6D2KET65 NC6D3KET12 NC6D3KET21 C6H112O2-1 C6H111O2-3 C6H111O2-4 C6H111O2-5 C6H111O2-6 C6H112O2-4 C6H112O2-5 C6H112O2-6 C6H113O2-1 C6H113O2-2 C6H101OOH3-4 C6H101OOH3-5 C6H101OOH3-6 C6H101OOH4-3 C6H101OOH4-5 C6H101OOH4-6 C6H101OOH5-3 C6H101OOH5-4 C6H101OOH5-6 C6H101OOH6-3 C6H101OOH6-4 C6H101OOH6-5 C6H101OOH3-4O2 C6H101OOH3-5O2 C6H101OOH3-6O2 C6H101OOH4-3O2 C6H101OOH4-5O2 C6H101OOH4-6O2 C6H101OOH5-3O2 C6H101OOH5-4O2 C6H101OOH5-6O2 C6H101OOH6-3O2 C6H101OOH6-4O2 C6H101OOH6-5O2 C6H102OOH5-4 C6H103OOH1-2 C6H102OOH4-5 C6H102OOH4-6 C6H102OOH5-6 C6H102OOH6-4 C6H102OOH6-5 C6H103OOH2-1 C6H102OOH4-5O2 C6H102OOH4-6O2 C6H102OOH5-4O2 C6H102OOH5-6O2 C6H102OOH6-4O2 C6H102OOH6-5O2 C6H103OOH2-1O2 C6H103OOH1-2O2 C2H3COC3H7 C5H81-4 C5H91O2-3 C5H91O2-4 C5H91O2-5 C5H81OOH3-4 C5H81OOH3-5 C5H81OOH4-3 C5H81OOH4-5 C5H81OOH5-4 C5H81OOH5-3 C5H92O2-1 C5H81OOH3-4O2 C5H81OOH3-5O2 C5H81OOH4-3O2 C5H81OOH4-5O2 C5H81OOH5-3O2 C5H81OOH5-4O2 NC5D1KET34 NC5D1KET35 NC5D1KET43 NC5D1KET45 NC5D1KET53 NC5D1KET54 CY3C5H8O ! ! ! IC6KETEB IC5KETDB ! ! N-ALKANE AND ALKYL RADICAL SPECIES ! NC12H26 C12H25-1 C12H25-2 C12H25-3 C12H25-4 C12H25-5 C12H25-6 NC11H24 C11H23-1 C11H23-2 C11H23-3 C11H23-4 C11H23-5 C11H23-6 NC10H22 C10H21-1 C10H21-2 C10H21-3 C10H21-4 C10H21-5 NC9H20 C9H19-1 C9H19-2 C9H19-3 C9H19-4 C9H19-5 NC8H18 C8H17-1 C8H17-2 C8H17-3 C8H17-4 ! ! ! OLEFIN SPECIES ! C12H24-1 C12H24-2 C12H24-3 C12H24-4 C12H24-5 C12H24-6 C11H22-1 C11H22-2 C11H22-3 C11H22-4 C11H22-5 C10H20-1 C10H20-2 C10H20-3 C10H20-4 C10H20-5 C9H18-1 C9H18-2 C9H18-3 C9H18-4 C8H16-1 C8H16-2 C8H16-3 C8H16-4 ! !! RO SPECIES ! C12H25O-1 C12H25O-2 C12H25O-3 C12H25O-4 C12H25O-5 C12H25O-6 C11H23O-1 C11H23O-2 C11H23O-3 C11H23O-4 C11H23O-5 C11H23O-6 C10H21O-1 C10H21O-2 C10H21O-3 C10H21O-4 C10H21O-5 C9H19O-1 C9H19O-2 C9H19O-3 C9H19O-4 C9H19O-5 C8H17O-1 C8H17O-2 C8H17O-3 C8H17O-4 ! ! ! RO2 SPECIES ! C12H25O2-1 C12H25O2-2 C12H25O2-3 C12H25O2-4 C12H25O2-5 C12H25O2-6 C11H23O2-1 C11H23O2-2 C11H23O2-3 C11H23O2-4 C11H23O2-5 C11H23O2-6 C10H21O2-1 C10H21O2-2 C10H21O2-3 C10H21O2-4 C10H21O2-5 C9H19O2-1 C9H19O2-2 C9H19O2-3 C9H19O2-4 C9H19O2-5 C8H17O2-1 C8H17O2-2 C8H17O2-3 C8H17O2-4 ! ! ! ROOH SPECIES ! C12H25O2H-1 C12H25O2H-2 C12H25O2H-3 C12H25O2H-4 C12H25O2H-5 C12H25O2H-6 C11H23O2H-1 C11H23O2H-2 C11H23O2H-3 C11H23O2H-4 C11H23O2H-5 C11H23O2H-6 C10H21O2H-1 C10H21O2H-2 C10H21O2H-3 C10H21O2H-4 C10H21O2H-5 C9H19O2H-1 C9H19O2H-2 C9H19O2H-3 C9H19O2H-4 C9H19O2H-5 C8H17O2H-1 C8H17O2H-2 C8H17O2H-3 C8H17O2H-4 ! ! ! QOOH SPECIES ! C12OOH1-2 C12OOH1-3 C12OOH1-4 C12OOH1-5 C12OOH2-1 C12OOH2-3 C12OOH2-4 C12OOH2-5 C12OOH2-6 C12OOH3-1 C12OOH3-2 C12OOH3-4 C12OOH3-5 C12OOH3-6 C12OOH3-7 C12OOH4-1 C12OOH4-2 C12OOH4-3 C12OOH4-5 C12OOH4-6 C12OOH4-7 C12OOH4-8 C12OOH5-1 C12OOH5-2 C12OOH5-3 C12OOH5-4 C12OOH5-6 C12OOH5-7 C12OOH5-8 C12OOH5-9 C12OOH6-2 C12OOH6-3 C12OOH6-4 C12OOH6-5 C12OOH6-7 C12OOH6-8 C12OOH6-9 C12OOH6-10 ! C11OOH1-2 C11OOH1-3 C11OOH1-4 C11OOH1-5 C11OOH2-1 C11OOH2-3 C11OOH2-4 C11OOH2-5 C11OOH2-6 C11OOH3-1 C11OOH3-2 C11OOH3-4 C11OOH3-5 C11OOH3-6 C11OOH3-7 C11OOH4-1 C11OOH4-2 C11OOH4-3 C11OOH4-5 C11OOH4-6 C11OOH4-7 C11OOH4-8 C11OOH5-1 C11OOH5-2 C11OOH5-3 C11OOH5-4 C11OOH5-6 C11OOH5-7 C11OOH5-8 C11OOH5-9 C11OOH6-2 C11OOH6-3 C11OOH6-4 C11OOH6-5 ! C10OOH1-2 C10OOH1-3 C10OOH1-4 C10OOH1-5 C10OOH2-1 C10OOH2-3 C10OOH2-4 C10OOH2-5 C10OOH2-6 C10OOH3-1 C10OOH3-2 C10OOH3-4 C10OOH3-5 C10OOH3-6 C10OOH3-7 C10OOH4-1 C10OOH4-2 C10OOH4-3 C10OOH4-5 C10OOH4-6 C10OOH4-7 C10OOH4-8 C10OOH5-1 C10OOH5-2 C10OOH5-3 C10OOH5-4 C10OOH5-6 C10OOH5-7 C10OOH5-8 C10OOH5-9 ! C9OOH1-2 C9OOH1-3 C9OOH1-4 C9OOH1-5 C9OOH2-1 C9OOH2-3 C9OOH2-4 C9OOH2-5 C9OOH2-6 C9OOH3-1 C9OOH3-2 C9OOH3-4 C9OOH3-5 C9OOH3-6 C9OOH3-7 C9OOH4-1 C9OOH4-2 C9OOH4-3 C9OOH4-5 C9OOH4-6 C9OOH4-7 C9OOH4-8 C9OOH5-1 C9OOH5-2 C9OOH5-3 C9OOH5-4 ! C8OOH1-2 C8OOH1-3 C8OOH1-4 C8OOH1-5 C8OOH2-1 C8OOH2-3 C8OOH2-4 C8OOH2-5 C8OOH2-6 C8OOH3-1 C8OOH3-2 C8OOH3-4 C8OOH3-5 C8OOH3-6 C8OOH3-7 C8OOH4-1 C8OOH4-2 C8OOH4-3 C8OOH4-5 C8OOH4-6 C8OOH4-7 C8OOH4-8 ! ! ! O2QOOH SPECIES ! ! C12OOH1-2O2 C12OOH1-3O2 C12OOH1-4O2 C12OOH1-5O2 C12OOH2-1O2 C12OOH2-3O2 C12OOH2-4O2 C12OOH2-5O2 C12OOH2-6O2 C12OOH3-1O2 C12OOH3-2O2 C12OOH3-4O2 C12OOH3-5O2 C12OOH3-6O2 C12OOH3-7O2 C12OOH4-1O2 C12OOH4-2O2 C12OOH4-3O2 C12OOH4-5O2 C12OOH4-6O2 C12OOH4-7O2 C12OOH4-8O2 C12OOH5-1O2 C12OOH5-2O2 C12OOH5-3O2 C12OOH5-4O2 C12OOH5-6O2 C12OOH5-7O2 C12OOH5-8O2 C12OOH5-9O2 C12OOH6-2O2 C12OOH6-3O2 C12OOH6-4O2 C12OOH6-5O2 C12OOH6-7O2 C12OOH6-8O2 C12OOH6-9O2 C12OOH6-10O2 ! C11OOH1-2O2 C11OOH1-3O2 C11OOH1-4O2 C11OOH1-5O2 C11OOH2-1O2 C11OOH2-3O2 C11OOH2-4O2 C11OOH2-5O2 C11OOH2-6O2 C11OOH3-1O2 C11OOH3-2O2 C11OOH3-4O2 C11OOH3-5O2 C11OOH3-6O2 C11OOH3-7O2 C11OOH4-1O2 C11OOH4-2O2 C11OOH4-3O2 C11OOH4-5O2 C11OOH4-6O2 C11OOH4-7O2 C11OOH4-8O2 C11OOH5-1O2 C11OOH5-2O2 C11OOH5-3O2 C11OOH5-4O2 C11OOH5-6O2 C11OOH5-7O2 C11OOH5-8O2 C11OOH5-9O2 C11OOH6-2O2 C11OOH6-3O2 C11OOH6-4O2 C11OOH6-5O2 ! C10OOH1-2O2 C10OOH1-3O2 C10OOH1-4O2 C10OOH1-5O2 C10OOH2-1O2 C10OOH2-3O2 C10OOH2-4O2 C10OOH2-5O2 C10OOH2-6O2 C10OOH3-1O2 C10OOH3-2O2 C10OOH3-4O2 C10OOH3-5O2 C10OOH3-6O2 C10OOH3-7O2 C10OOH4-1O2 C10OOH4-2O2 C10OOH4-3O2 C10OOH4-5O2 C10OOH4-6O2 C10OOH4-7O2 C10OOH4-8O2 C10OOH5-1O2 C10OOH5-2O2 C10OOH5-3O2 C10OOH5-4O2 C10OOH5-6O2 C10OOH5-7O2 C10OOH5-8O2 C10OOH5-9O2 ! C9OOH1-2O2 C9OOH1-3O2 C9OOH1-4O2 C9OOH1-5O2 C9OOH2-1O2 C9OOH2-3O2 C9OOH2-4O2 C9OOH2-5O2 C9OOH2-6O2 C9OOH3-1O2 C9OOH3-2O2 C9OOH3-4O2 C9OOH3-5O2 C9OOH3-6O2 C9OOH3-7O2 C9OOH4-1O2 C9OOH4-2O2 C9OOH4-3O2 C9OOH4-5O2 C9OOH4-6O2 C9OOH4-7O2 C9OOH4-8O2 C9OOH5-1O2 C9OOH5-2O2 C9OOH5-3O2 C9OOH5-4O2 ! C8OOH1-2O2 C8OOH1-3O2 C8OOH1-4O2 C8OOH1-5O2 C8OOH2-1O2 C8OOH2-3O2 C8OOH2-4O2 C8OOH2-5O2 C8OOH2-6O2 C8OOH3-1O2 C8OOH3-2O2 C8OOH3-4O2 C8OOH3-5O2 C8OOH3-6O2 C8OOH3-7O2 C8OOH4-1O2 C8OOH4-2O2 C8OOH4-3O2 C8OOH4-5O2 C8OOH4-6O2 C8OOH4-7O2 C8OOH4-8O2 ! ! ! CYCLIC ETHER SPECIES ! ! C12O1-2 C12O1-3 C12O1-4 C12O1-5 C12O2-3 C12O2-4 C12O2-5 C12O2-6 C12O3-4 C12O3-5 C12O3-6 C12O3-7 C12O4-5 C12O4-6 C12O4-7 C12O4-8 C12O5-6 C12O5-7 C12O5-8 C12O6-7 ! C11O1-2 C11O1-3 C11O1-4 C11O1-5 C11O2-3 C11O2-4 C11O2-5 C11O2-6 C11O3-4 C11O3-5 C11O3-6 C11O3-7 C11O4-5 C11O4-6 C11O4-7 C11O4-8 C11O5-6 C11O5-7 ! C10O1-2 C10O1-3 C10O1-4 C10O1-5 C10O2-3 C10O2-4 C10O2-5 C10O2-6 C10O3-4 C10O3-5 C10O3-6 C10O3-7 C10O4-5 C10O4-6 C10O4-7 C10O5-6 ! C9O1-2 C9O1-3 C9O1-4 C9O1-5 C9O2-3 C9O2-4 C9O2-5 C9O2-6 C9O3-4 C9O3-5 C9O3-6 C9O3-7 C9O4-5 C9O4-6 ! C8O1-2 C8O1-3 C8O1-4 C8O1-5 C8O2-3 C8O2-4 C8O2-5 C8O2-6 C8O3-4 C8O3-5 C8O3-6 C8O4-5 ! ! ! KETOHYDROPEROXIDE SPECIES ! ! C12KET1-2 C12KET1-3 C12KET1-4 C12KET1-5 C12KET2-1 C12KET2-3 C12KET2-4 C12KET2-5 C12KET2-6 C12KET3-1 C12KET3-2 C12KET3-4 C12KET3-5 C12KET3-6 C12KET3-7 C12KET4-1 C12KET4-2 C12KET4-3 C12KET4-5 C12KET4-6 C12KET4-7 C12KET4-8 C12KET5-1 C12KET5-2 C12KET5-3 C12KET5-4 C12KET5-6 C12KET5-7 C12KET5-8 C12KET5-9 C12KET6-2 C12KET6-3 C12KET6-4 C12KET6-5 C12KET6-7 C12KET6-8 C12KET6-9 C12KET6-10 ! C11KET1-2 C11KET1-3 C11KET1-4 C11KET1-5 C11KET2-1 C11KET2-3 C11KET2-4 C11KET2-5 C11KET2-6 C11KET3-1 C11KET3-2 C11KET3-4 C11KET3-5 C11KET3-6 C11KET3-7 C11KET4-1 C11KET4-2 C11KET4-3 C11KET4-5 C11KET4-6 C11KET4-7 C11KET4-8 C11KET5-1 C11KET5-2 C11KET5-3 C11KET5-4 C11KET5-6 C11KET5-7 C11KET5-8 C11KET5-9 C11KET6-2 C11KET6-3 C11KET6-4 C11KET6-5 ! C10KET1-2 C10KET1-3 C10KET1-4 C10KET1-5 C10KET2-1 C10KET2-3 C10KET2-4 C10KET2-5 C10KET2-6 C10KET3-1 C10KET3-2 C10KET3-4 C10KET3-5 C10KET3-6 C10KET3-7 C10KET4-1 C10KET4-2 C10KET4-3 C10KET4-5 C10KET4-6 C10KET4-7 C10KET4-8 C10KET5-1 C10KET5-2 C10KET5-3 C10KET5-4 C10KET5-6 C10KET5-7 C10KET5-8 C10KET5-9 ! C9KET1-2 C9KET1-3 C9KET1-4 C9KET1-5 C9KET2-1 C9KET2-3 C9KET2-4 C9KET2-5 C9KET2-6 C9KET3-1 C9KET3-2 C9KET3-4 C9KET3-5 C9KET3-6 C9KET3-7 C9KET4-1 C9KET4-2 C9KET4-3 C9KET4-5 C9KET4-6 C9KET4-7 C9KET4-8 C9KET5-1 C9KET5-2 C9KET5-3 C9KET5-4 ! C8KET1-2 C8KET1-3 C8KET1-4 C8KET1-5 C8KET2-1 C8KET2-3 C8KET2-4 C8KET2-5 C8KET2-6 C8KET3-1 C8KET3-2 C8KET3-4 C8KET3-5 C8KET3-6 C8KET3-7 C8KET4-1 C8KET4-2 C8KET4-3 C8KET4-5 C8KET4-6 C8KET4-7 C8KET4-8 ! ! C12H25COCH2 C11H23COCH2 C10H21COCH2 C9H19COCH2 C8H17COCH2 C7H15COCH2 C6H13COCH2 C5H11COCH2 C12COC2H4P C11COC2H4P C10COC2H4P C9COC2H4P C8COC2H4P C7COC2H4P C6COC2H4P C5COC2H4P C4COC2H4P ! ! C11COC3H6P C10COC3H6P C9COC3H6P C8COC3H6P C7COC3H6P C6COC3H6P C5COC3H6P C4COC3H6P C3COC3H6P ! ! NC3H7COC2H3 NC4H9COC2H3 C5H11COC2H3 C6H13COC2H3 ! NC3H7CHCO NC4H9CHCO C5H11CHCO C6H13CHCO C7H15CHCO ! ! LARGE ALDEHYDES ! ! NC12H25CHO NC11H23CHO NC10H21CHO NC9H19CHO NC8H17CHO NC7H15CHO NC6H13CHO NC16H33CO NC15H31CO NC14H29CO NC12H25CO NC11H23CO NC10H21CO NC9H19CO NC8H17CO NC7H15CO NC6H13CO C4H8CHO4-2 ! ! IC12H25CHO IC11H23CHO IC10H21CHO IC9H19CHO IC8H17CHO IC7H15CHO IC6H13CHO IC5H11CHO IC4H9CHO IC18H37CO IC17H35CO IC16H33CO IC15H31CO IC14H29CO IC12H25CO IC11H23CO IC10H21CO IC9H19CO IC8H17CO IC7H15CO IC6H13CO IC5H11CO IC4H9CO ! ! ! ! NC12H25COCH2 NC11H23COCH2 NC10H21COCH2 NC9H19COCH2 NC8H17COCH2 NC7H15COCH2 NC6H13COCH2 NC5H11COCH2 ! ! IC12H25COCH2 IC11H23COCH2 IC10H21COCH2 IC9H19COCH2 IC8H17COCH2 IC7H15COCH2 IC6H13COCH2 IC5H11COCH2 IC4H9COCH2 IC3H7COCH2 ! ! NC12H25COC2H4P NC11H23COC2H4P NC10H21COC2H4P NC9H19COC2H4P NC8H17COC2H4P NC7H15COC2H4P NC6H13COC2H4P NC5H11COC2H4P NC4H9COC2H4P ! ! IC12H25COC2H4P IC11H23COC2H4P IC10H21COC2H4P IC9H19COC2H4P IC8H17COC2H4P IC7H15COC2H4P IC6H13COC2H4P IC5H11COC2H4P IC4H9COC2H4P IC3H7COC2H4P ! ! NC12H25COC2H3 NC11H23COC2H3 NC10H21COC2H3 NC9H19COC2H3 NC8H17COC2H3 NC7H15COC2H3 NC6H13COC2H3 NC5H11COC2H3 NC4H9COC2H3 NC3H7COC2H3 ! ! ! NC12H25COC3H6P NC11H23COC3H6P NC10H21COC3H6P NC9H19COC3H6P NC8H17COC3H6P NC7H15COC3H6P NC6H13COC3H6P NC5H11COC3H6P NC4H9COC3H6P NC3H7COC3H6P ! ! IC12H25COC3H6P IC11H23COC3H6P IC10H21COC3H6P IC9H19COC3H6P IC8H17COC3H6P IC7H15COC3H6P IC6H13COC3H6P IC5H11COC3H6P IC4H9COC3H6P IC3H7COC3H6P ! ! ! NC3H7CHCO NC4H9CHCO NC5H11CHCO NC6H13CHCO NC7H15CHCO NC8H17CHCO NC9H19CHCO NC10H21CHCO NC11H23CHCO NC12H25CHCO ! IC3H7CHCO CH3CHCHO CH3CHOCHO IC3H7COC2H3 IC3H6COC2H3 TC3H6COC2H3 ! ! ! ALKENYL RADICALS ! C12H23 C11H21 C10H19 C9H17 C8H15 ! ! ! C5 AND C6 2-METHYLALKYL RADICALS, ALKENES, AND ALKENYL RADICALS ! FORMED BY DECOMPOSITION OF LARGER 2-METHYLALKANES ! THE NAMES OF THESE SPECIES DO NOT FOLLOW THE SAME CONVENTION AS THE ! C7 AND GREATER 2-METHYLALKANES SINCE THESE ARE PART OF THE BASE MECHANISM EC6H13 !C6H13-2E DC6H13 !C6H13-2D DC6H12 !C6H12-4-2 CC6H12 !C6H12-3-2 IC6H11 !C6H11-1-2 AC5H11 !C5H11-2A BC5H11 !C5H11-2B CC5H11 !C5H11-2C DC5H11 !C5H11-2D AC5H10 !C5H11-1-2 BC5H10 !C5H10-2-2 CC5H10 !C5H10-3-2 IC5H9 !C5H9-1-1 ! ! ! ! ! ! 2-METHYLHEXANE ! 2-METHYLHEXANE AND ITS CORRESPONDING ALKYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C7H16-2 C7H15-2A C7H15-2B C7H15-2C C7H15-2D C7H15-2E C7H15-2F ! ! ALL 2-METHYLHEXENES AND ITS CORRESPONDING ALKENYL RADICALS ! RADICAL SITE DENOTED BY LETTER C7H14-1-2 C7H14-2-2 C7H14-3-2 C7H14-4-2 C7H14-5-2 ! C7H13-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C7H13-1-2 RADICALS BELOW ! ! ! 2-METHYLHEXANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C7H15O-1-2 C7H15O-2-2 C7H15O-3-2 C7H15O-4-2 C7H15O-5-2 C7H15O-6-2 ! ! 2-METHYLHEXANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C7H15OO-1-2 C7H15OO-2-2 C7H15OO-3-2 C7H15OO-4-2 C7H15OO-5-2 C7H15OO-6-2 ! ! 2-METHYLHEXANE ROOH SPECIES; NO RADICAL SITES C7H15OOH-1-2 C7H15OOH-2-2 C7H15OOH-3-2 C7H15OOH-4-2 C7H15OOH-5-2 C7H15OOH-6-2 ! ! 2-METHYLHEXANE .QOOH SPECIES; C7H14-1 IS DENOTED AS C7 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS ! C7OOH1-2A C7OOH1-2B C7OOH1-2C C7OOH1-2D C7OOH1-2E ! C7OOH2-2A C7OOH2-2C C7OOH2-2D C7OOH2-2E C7OOH2-2F ! C7OOH3-2A C7OOH3-2B C7OOH3-2D C7OOH3-2E C7OOH3-2F ! C7OOH4-2A C7OOH4-2B C7OOH4-2C C7OOH4-2E C7OOH4-2F ! C7OOH5-2A C7OOH5-2B C7OOH5-2C C7OOH5-2D C7OOH5-2F ! C7OOH6-2B C7OOH6-2C C7OOH6-2D C7OOH6-2E ! ! 2-METHYLHEXANE .OOQOOH SPECIES; C7H14-1 IS DENOTED AS C7 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C7OOH1-OO1-2 C7OOH1-OO2-2 C7OOH1-OO3-2 C7OOH1-OO4-2 C7OOH1-OO5-2 ! C7OOH2-OO1-2 C7OOH2-OO3-2 C7OOH2-OO4-2 C7OOH2-OO5-2 C7OOH2-OO6-2 ! C7OOH3-OO1-2 C7OOH3-OO2-2 C7OOH3-OO4-2 C7OOH3-OO5-2 C7OOH3-OO6-2 ! C7OOH4-OO1-2 C7OOH4-OO2-2 C7OOH4-OO3-2 C7OOH4-OO5-2 C7OOH4-OO6-2 ! C7OOH5-OO1-2 C7OOH5-OO2-2 C7OOH5-OO3-2 C7OOH5-OO4-2 C7OOH5-OO6-2 ! C7OOH6-OO2-2 C7OOH6-OO3-2 C7OOH6-OO4-2 C7OOH6-OO5-2 ! ! 2-METHYLHEXANE CYCLIC ETHER SPECIES; NO RADICAL SITES C7H14O1-1-2 C7H14O1-2-2 C7H14O1-3-2 C7H14O1-4-2 C7H14O1-5-2 ! C7H14O2-3-2 C7H14O2-4-2 C7H14O2-5-2 C7H14O2-6-2 ! C7H14O3-4-2 C7H14O3-5-2 C7H14O3-6-2 ! C7H14O4-5-2 C7H14O4-6-2 ! C7H14O5-6-2 ! ! 2-METHYLHEXANE KETO-HYDROPEROXIDE (KET) SPECIES; C7H14-1 IS DENOTED AS C7 ! THERE ARE NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C7KET1-1-2 C7KET1-2-2 C7KET1-3-2 C7KET1-4-2 C7KET1-5-2 ! C7KET3-1-2 C7KET3-2-2 C7KET3-4-2 C7KET3-5-2 C7KET3-6-2 ! C7KET4-1-2 C7KET4-2-2 C7KET4-3-2 C7KET4-5-2 C7KET4-6-2 ! C7KET5-1-2 C7KET5-2-2 C7KET5-3-2 C7KET5-4-2 C7KET5-6-2 ! C7KET6-2-2 C7KET6-3-2 C7KET6-4-2 C7KET6-5-2 ! ! ! ! ! ! ! 2-METHYLHEPTANE ! 2-METHYLHEPTANE AND ITS CORRESPONDING ALKYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C8H18-2 C8H17-2A C8H17-2B C8H17-2C C8H17-2D C8H17-2E C8H17-2F C8H17-2G ! ! ALL 2-METHYLHEPTENES AND ITS CORRESPONDING ALKENYL RADICALS ! RADICAL SITE DENOTED BY LETTER C8H16-1-2 C8H16-2-2 C8H16-3-2 C8H16-4-2 C8H16-5-2 C8H16-6-2 ! C8H15-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C8H15-1-2 RADICALS BELOW ! ! ! 2-METHYLHEPTANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C8H17O-1-2 C8H17O-2-2 C8H17O-3-2 C8H17O-4-2 C8H17O-5-2 C8H17O-6-2 C8H17O-7-2 ! ! 2-METHYLHEPTANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C8H17OO-1-2 C8H17OO-2-2 C8H17OO-3-2 C8H17OO-4-2 C8H17OO-5-2 C8H17OO-6-2 C8H17OO-7-2 ! ! 2-METHYLHEPTANE ROOH SPECIES; NO RADICAL SITES C8H17OOH-1-2 C8H17OOH-2-2 C8H17OOH-3-2 C8H17OOH-4-2 C8H17OOH-5-2 C8H17OOH-6-2 C8H17OOH-7-2 ! ! 2-METHYLHEPTANE .QOOH SPECIES; C8H16-1DENOTED AS C8 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS C8OOH1-2A C8OOH1-2B C8OOH1-2C C8OOH1-2D C8OOH1-2E ! C8OOH2-2A C8OOH2-2C C8OOH2-2D C8OOH2-2E C8OOH2-2F ! C8OOH3-2A C8OOH3-2B C8OOH3-2D C8OOH3-2E C8OOH3-2F C8OOH3-2G ! C8OOH4-2A C8OOH4-2B C8OOH4-2C C8OOH4-2E C8OOH4-2F C8OOH4-2G ! C8OOH5-2A C8OOH5-2B C8OOH5-2C C8OOH5-2D C8OOH5-2F C8OOH5-2G ! C8OOH6-2B C8OOH6-2C C8OOH6-2D C8OOH6-2E C8OOH6-2G ! C8OOH7-2C C8OOH7-2D C8OOH7-2E C8OOH7-2F ! ! 2-METHYLHEPTANE .OOQOOH SPECIES; C8H16-1DENOTED AS C8 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C8OOH1-OO1-2 C8OOH1-OO2-2 C8OOH1-OO3-2 C8OOH1-OO4-2 C8OOH1-OO5-2 ! C8OOH2-OO1-2 C8OOH2-OO3-2 C8OOH2-OO4-2 C8OOH2-OO5-2 C8OOH2-OO6-2 ! C8OOH3-OO1-2 C8OOH3-OO2-2 C8OOH3-OO4-2 C8OOH3-OO5-2 C8OOH3-OO6-2 C8OOH3-OO7-2 ! C8OOH4-OO1-2 C8OOH4-OO2-2 C8OOH4-OO3-2 C8OOH4-OO5-2 C8OOH4-OO6-2 C8OOH4-OO7-2 ! C8OOH5-OO1-2 C8OOH5-OO2-2 C8OOH5-OO3-2 C8OOH5-OO4-2 C8OOH5-OO6-2 C8OOH5-OO7-2 ! C8OOH6-OO2-2 C8OOH6-OO3-2 C8OOH6-OO4-2 C8OOH6-OO5-2 C8OOH6-OO7-2 ! C8OOH7-OO3-2 C8OOH7-OO4-2 C8OOH7-OO5-2 C8OOH7-OO6-2 ! ! 2-METHYLHEPTANE CYCLIC ETHER SPECIES; NO RADICAL SITES C8H16O1-1-2 C8H16O1-2-2 C8H16O1-3-2 C8H16O1-4-2 C8H16O1-5-2 ! C8H16O2-3-2 C8H16O2-4-2 C8H16O2-5-2 C8H16O2-6-2 ! C8H16O3-4-2 C8H16O3-5-2 C8H16O3-6-2 C8H16O3-7-2 ! C8H16O4-5-2 C8H16O4-6-2 C8H16O4-7-2 ! C8H16O5-6-2 C8H16O5-7-2 ! C8H16O6-7-2 ! ! 2-METHYLHEPTANE KETO-HYDROPEROXIDE (KET) SPECIES; C8H16-1DENOTED AS C8 ! THERE ARE NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C8KET1-1-2 C8KET1-2-2 C8KET1-3-2 C8KET1-4-2 C8KET1-5-2 ! C8KET3-1-2 C8KET3-2-2 C8KET3-4-2 C8KET3-5-2 C8KET3-6-2 C8KET3-7-2 ! C8KET4-1-2 C8KET4-2-2 C8KET4-3-2 C8KET4-5-2 C8KET4-6-2 C8KET4-7-2 ! C8KET5-1-2 C8KET5-2-2 C8KET5-3-2 C8KET5-4-2 C8KET5-6-2 C8KET5-7-2 ! C8KET6-2-2 C8KET6-3-2 C8KET6-4-2 C8KET6-5-2 C8KET6-7-2 ! C8KET7-3-2 C8KET7-4-2 C8KET7-5-2 C8KET7-6-2 ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! 2-METHYLOCTANE AND ITS CORRESPONDING ALKYL RADICALS! ! RADICAL SITE DENOTED BY LETTER C9H20-2 C9H19-2A C9H19-2B C9H19-2C C9H19-2D C9H19-2E C9H19-2F C9H19-2G C9H19-2H ! ! ALL 2-METHYLOCTENES AND ITS CORRESPONDING ALKENYL RADICALS ! RADICAL SITE DENOTED BY LETTER C9H18-1-2 C9H18-2-2 C9H18-3-2 C9H18-4-2 C9H18-5-2 C9H18-6-2 C9H18-7-2 ! C9H17-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C9H17-1-2 RADICALS BELOW ! ! ! ! 2-METHYLOCTANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C9H19O-1-2 C9H19O-2-2 C9H19O-3-2 C9H19O-4-2 C9H19O-5-2 C9H19O-6-2 C9H19O-7-2 C9H19O-8-2 ! ! 2-METHYLOCTANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C9H19OO-1-2 C9H19OO-2-2 C9H19OO-3-2 C9H19OO-4-2 C9H19OO-5-2 C9H19OO-6-2 C9H19OO-7-2 C9H19OO-8-2 ! ! 2-METHYLOCTANE ROOH SPECIES; NO RADICAL SITES C9H19OOH-1-2 C9H19OOH-2-2 C9H19OOH-3-2 C9H19OOH-4-2 C9H19OOH-5-2 C9H19OOH-6-2 C9H19OOH-7-2 C9H19OOH-8-2 ! ! 2-METHYLOCTANE .QOOH SPECIES; C9H18-1DENOTED AS C9 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS C9OOH1-2A C9OOH1-2B C9OOH1-2C C9OOH1-2D C9OOH1-2E ! C9OOH2-2A C9OOH2-2C C9OOH2-2D C9OOH2-2E C9OOH2-2F ! C9OOH3-2A C9OOH3-2B C9OOH3-2D C9OOH3-2E C9OOH3-2F C9OOH3-2G ! C9OOH4-2A C9OOH4-2B C9OOH4-2C C9OOH4-2E C9OOH4-2F C9OOH4-2G C9OOH4-2H ! C9OOH5-2A C9OOH5-2B C9OOH5-2C C9OOH5-2D C9OOH5-2F C9OOH5-2G C9OOH5-2H ! C9OOH6-2B C9OOH6-2C C9OOH6-2D C9OOH6-2E C9OOH6-2G C9OOH6-2H ! C9OOH7-2C C9OOH7-2D C9OOH7-2E C9OOH7-2F C9OOH7-2H ! C9OOH8-2D C9OOH8-2E C9OOH8-2F C9OOH8-2G ! ! 2-METHYLOCTANE .OOQOOH SPECIES; C9H18-1DENOTED AS C9 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C9OOH1-OO1-2 C9OOH1-OO2-2 C9OOH1-OO3-2 C9OOH1-OO4-2 C9OOH1-OO5-2 ! C9OOH2-OO1-2 C9OOH2-OO3-2 C9OOH2-OO4-2 C9OOH2-OO5-2 C9OOH2-OO6-2 ! C9OOH3-OO1-2 C9OOH3-OO2-2 C9OOH3-OO4-2 C9OOH3-OO5-2 C9OOH3-OO6-2 C9OOH3-OO7-2 ! C9OOH4-OO1-2 C9OOH4-OO2-2 C9OOH4-OO3-2 C9OOH4-OO5-2 C9OOH4-OO6-2 C9OOH4-OO7-2 C9OOH4-OO8-2 ! C9OOH5-OO1-2 C9OOH5-OO2-2 C9OOH5-OO3-2 C9OOH5-OO4-2 C9OOH5-OO6-2 C9OOH5-OO7-2 C9OOH5-OO8-2 ! C9OOH6-OO2-2 C9OOH6-OO3-2 C9OOH6-OO4-2 C9OOH6-OO5-2 C9OOH6-OO7-2 C9OOH6-OO8-2 ! C9OOH7-OO3-2 C9OOH7-OO4-2 C9OOH7-OO5-2 C9OOH7-OO6-2 C9OOH7-OO8-2 ! C9OOH8-OO4-2 C9OOH8-OO5-2 C9OOH8-OO6-2 C9OOH8-OO7-2 ! ! 2-METHYLOCTANE CYCLIC ETHER SPECIES; NO RADICAL SITES C9H18O1-1-2 C9H18O1-2-2 C9H18O1-3-2 C9H18O1-4-2 C9H18O1-5-2 ! C9H18O2-3-2 C9H18O2-4-2 C9H18O2-5-2 C9H18O2-6-2 ! C9H18O3-4-2 C9H18O3-5-2 C9H18O3-6-2 C9H18O3-7-2 ! C9H18O4-5-2 C9H18O4-6-2 C9H18O4-7-2 C9H18O4-8-2 ! C9H18O5-6-2 C9H18O5-7-2 C9H18O5-8-2 ! C9H18O6-7-2 C9H18O6-8-2 ! C9H18O7-8-2 ! 2-METHYLOCTANE KETO-HYDROPEROXIDE (KET) SPECIES; ! C9H18-1DENOTED AS C9 ! NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C9KET1-1-2 C9KET1-2-2 C9KET1-3-2 C9KET1-4-2 C9KET1-5-2 ! C9KET3-1-2 C9KET3-2-2 C9KET3-4-2 C9KET3-5-2 C9KET3-6-2 C9KET3-7-2 ! C9KET4-1-2 C9KET4-2-2 C9KET4-3-2 C9KET4-5-2 C9KET4-6-2 C9KET4-7-2 C9KET4-8-2 ! C9KET5-1-2 C9KET5-2-2 C9KET5-3-2 C9KET5-4-2 C9KET5-6-2 C9KET5-7-2 C9KET5-8-2 ! C9KET6-2-2 C9KET6-3-2 C9KET6-4-2 C9KET6-5-2 C9KET6-7-2 C9KET6-8-2 ! C9KET7-3-2 C9KET7-4-2 C9KET7-5-2 C9KET7-6-2 C9KET7-8-2 ! C9KET8-4-2 C9KET8-5-2 C9KET8-6-2 C9KET8-7-2 ! ! ! ! ! ! ! ! 2-METHYLNONANE ! 2-METHYLNONANE AND ITS CORRESPONDING ALKYL RADICALS ! RADICAL SITE DENOTED BY LETTER C10H22-2 C10H21-2A C10H21-2B C10H21-2C C10H21-2D C10H21-2E C10H21-2F C10H21-2G C10H21-2H C10H21-2I ! ! ALL 2-METHYLNONENES AND ITS CORRESPONDING ALKENYL RADICALS ! RADICAL SITE DENOTED BY LETTER C10H20-1-2 C10H20-2-2 C10H20-3-2 C10H20-4-2 C10H20-5-2 C10H20-6-2 C10H20-7-2 C10H20-8-2 ! C10H19-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C10H19-1-2 RADICALS BELOW ! ! ! ! 2-METHYLNONANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C10H21O-1-2 C10H21O-2-2 C10H21O-3-2 C10H21O-4-2 C10H21O-5-2 C10H21O-6-2 C10H21O-7-2 C10H21O-8-2 C10H21O-9-2 ! ! 2-METHYLNONANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C10H21OO-1-2 C10H21OO-2-2 C10H21OO-3-2 C10H21OO-4-2 C10H21OO-5-2 C10H21OO-6-2 C10H21OO-7-2 C10H21OO-8-2 C10H21OO-9-2 ! ! 2-METHYLNONANE ROOH SPECIES; NO RADICAL SITES C10H21OOH-1-2 C10H21OOH-2-2 C10H21OOH-3-2 C10H21OOH-4-2 C10H21OOH-5-2 C10H21OOH-6-2 C10H21OOH-7-2 C10H21OOH-8-2 C10H21OOH-9-2 ! ! 2-METHYLNONANE .QOOH SPECIES; C10H20-1DENOTED AS C10 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS C10OOH1-2A C10OOH1-2B C10OOH1-2C C10OOH1-2D C10OOH1-2E ! C10OOH2-2A C10OOH2-2C C10OOH2-2D C10OOH2-2E C10OOH2-2F ! C10OOH3-2A C10OOH3-2B C10OOH3-2D C10OOH3-2E C10OOH3-2F C10OOH3-2G ! C10OOH4-2A C10OOH4-2B C10OOH4-2C C10OOH4-2E C10OOH4-2F C10OOH4-2G C10OOH4-2H ! C10OOH5-2A C10OOH5-2B C10OOH5-2C C10OOH5-2D C10OOH5-2F C10OOH5-2G C10OOH5-2H C10OOH5-2I ! C10OOH6-2B C10OOH6-2C C10OOH6-2D C10OOH6-2E C10OOH6-2G C10OOH6-2H C10OOH6-2I ! C10OOH7-2C C10OOH7-2D C10OOH7-2E C10OOH7-2F C10OOH7-2H C10OOH7-2I ! C10OOH8-2D C10OOH8-2E C10OOH8-2F C10OOH8-2G C10OOH8-2I ! C10OOH9-2E C10OOH9-2F C10OOH9-2G C10OOH9-2H ! ! 2-METHYLNONANE .OOQOOH SPECIES; C10H10 DENOTED AS C10 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C10OOH1-OO1-2 C10OOH1-OO2-2 C10OOH1-OO3-2 C10OOH1-OO4-2 C10OOH1-OO5-2 ! C10OOH2-OO1-2 C10OOH2-OO3-2 C10OOH2-OO4-2 C10OOH2-OO5-2 C10OOH2-OO6-2 ! C10OOH3-OO1-2 C10OOH3-OO2-2 C10OOH3-OO4-2 C10OOH3-OO5-2 C10OOH3-OO6-2 C10OOH3-OO7-2 ! C10OOH4-OO1-2 C10OOH4-OO2-2 C10OOH4-OO3-2 C10OOH4-OO5-2 C10OOH4-OO6-2 C10OOH4-OO7-2 C10OOH4-OO8-2 ! C10OOH5-OO1-2 C10OOH5-OO2-2 C10OOH5-OO3-2 C10OOH5-OO4-2 C10OOH5-OO6-2 C10OOH5-OO7-2 C10OOH5-OO8-2 C10OOH5-OO9-2 ! C10OOH6-OO2-2 C10OOH6-OO3-2 C10OOH6-OO4-2 C10OOH6-OO5-2 C10OOH6-OO7-2 C10OOH6-OO8-2 C10OOH6-OO9-2 ! C10OOH7-OO3-2 C10OOH7-OO4-2 C10OOH7-OO5-2 C10OOH7-OO6-2 C10OOH7-OO8-2 C10OOH7-OO9-2 ! C10OOH8-OO4-2 C10OOH8-OO5-2 C10OOH8-OO6-2 C10OOH8-OO7-2 C10OOH8-OO9-2 ! C10OOH9-OO5-2 C10OOH9-OO6-2 C10OOH9-OO7-2 C10OOH9-OO8-2 ! ! 2-METHYLNONANE CYCLIC ETHER SPECIES; NO RADICAL SITES C10H20O1-1-2 C10H20O1-2-2 C10H20O1-3-2 C10H20O1-4-2 C10H20O1-5-2 ! C10H20O2-3-2 C10H20O2-4-2 C10H20O2-5-2 C10H20O2-6-2 ! C10H20O3-4-2 C10H20O3-5-2 C10H20O3-6-2 C10H20O3-7-2 ! C10H20O4-5-2 C10H20O4-6-2 C10H20O4-7-2 C10H20O4-8-2 ! C10H20O5-6-2 C10H20O5-7-2 C10H20O5-8-2 C10H20O5-9-2 ! C10H20O6-7-2 C10H20O6-8-2 C10H20O6-9-2 ! C10H20O7-8-2 C10H20O7-9-2 ! C10H20O8-9-2 ! ! 2-METHYLNONANE KETO-HYDROPEROXIDE (KET) SPECIES; C10H20-1DENOTED AS C10 ! THERE ARE NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C10KET1-1-2 C10KET1-2-2 C10KET1-3-2 C10KET1-4-2 C10KET1-5-2 ! C10KET3-1-2 C10KET3-2-2 C10KET3-4-2 C10KET3-5-2 C10KET3-6-2 C10KET3-7-2 ! C10KET4-1-2 C10KET4-2-2 C10KET4-3-2 C10KET4-5-2 C10KET4-6-2 C10KET4-7-2 C10KET4-8-2 ! C10KET5-1-2 C10KET5-2-2 C10KET5-3-2 C10KET5-4-2 C10KET5-6-2 C10KET5-7-2 C10KET5-8-2 C10KET5-9-2 ! C10KET6-2-2 C10KET6-3-2 C10KET6-4-2 C10KET6-5-2 C10KET6-7-2 C10KET6-8-2 C10KET6-9-2 ! C10KET7-3-2 C10KET7-4-2 C10KET7-5-2 C10KET7-6-2 C10KET7-8-2 C10KET7-9-2 ! C10KET8-4-2 C10KET8-5-2 C10KET8-6-2 C10KET8-7-2 C10KET8-9-2 ! C10KET9-5-2 C10KET9-6-2 C10KET9-7-2 C10KET9-8-2 ! ! ! ! ! ! ! ! 2-METHYLDECANE ! 2-METHYLDECANE AND ITS CORRESPONDING ALKYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C11H24-2 C11H23-2A C11H23-2B C11H23-2C C11H23-2D C11H23-2E C11H23-2F C11H23-2G C11H23-2H C11H23-2I C11H23-2J ! ! ALL 2-METHYLDECENES AND ITS CORRESPONDING ALKENYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C11H22-1-2 C11H22-2-2 C11H22-3-2 C11H22-4-2 C11H22-5-2 C11H22-6-2 C11H22-7-2 C11H22-8-2 C11H22-9-2 ! C11H21-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C11H21-1-2 RADICALS BELOW ! ! ! 2-METHYLDECANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C11H23O-1-2 C11H23O-2-2 C11H23O-3-2 C11H23O-4-2 C11H23O-5-2 C11H23O-6-2 C11H23O-7-2 C11H23O-8-2 C11H23O-9-2 C11H23O-10-2 ! ! 2-METHYLDECANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C11H23OO-1-2 C11H23OO-2-2 C11H23OO-3-2 C11H23OO-4-2 C11H23OO-5-2 C11H23OO-6-2 C11H23OO-7-2 C11H23OO-8-2 C11H23OO-9-2 C11H23OO-10-2 ! ! 2-METHYLDECANE ROOH SPECIES; NO RADICAL SITES C11H23OOH-1-2 C11H23OOH-2-2 C11H23OOH-3-2 C11H23OOH-4-2 C11H23OOH-5-2 C11H23OOH-6-2 C11H23OOH-7-2 C11H23OOH-8-2 C11H23OOH-9-2 C11H23OOH-10-2 ! ! 2-METHYLDECANE .QOOH SPECIES; C11H22-1DENOTED AS C11 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS C11OOH1-2A C11OOH1-2B C11OOH1-2C C11OOH1-2D C11OOH1-2E ! C11OOH2-2A C11OOH2-2C C11OOH2-2D C11OOH2-2E C11OOH2-2F ! C11OOH3-2A C11OOH3-2B C11OOH3-2D C11OOH3-2E C11OOH3-2F C11OOH3-2G ! C11OOH4-2A C11OOH4-2B C11OOH4-2C C11OOH4-2E C11OOH4-2F C11OOH4-2G C11OOH4-2H ! C11OOH5-2A C11OOH5-2B C11OOH5-2C C11OOH5-2D C11OOH5-2F C11OOH5-2G C11OOH5-2H C11OOH5-2I ! C11OOH6-2B C11OOH6-2C C11OOH6-2D C11OOH6-2E C11OOH6-2G C11OOH6-2H C11OOH6-2I C11OOH6-2J ! C11OOH7-2C C11OOH7-2D C11OOH7-2E C11OOH7-2F C11OOH7-2H C11OOH7-2I C11OOH7-2J ! C11OOH8-2D C11OOH8-2E C11OOH8-2F C11OOH8-2G C11OOH8-2I C11OOH8-2J ! C11OOH9-2E C11OOH9-2F C11OOH9-2G C11OOH9-2H C11OOH9-2J ! C11OOH10-2F C11OOH10-2G C11OOH10-2H C11OOH10-2I ! ! 2-METHYLDECANE .OOQOOH SPECIES; C11H22-1DENOTED AS C11 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C11OOH1-OO1-2 C11OOH1-OO2-2 C11OOH1-OO3-2 C11OOH1-OO4-2 C11OOH1-OO5-2 ! C11OOH2-OO1-2 C11OOH2-OO3-2 C11OOH2-OO4-2 C11OOH2-OO5-2 C11OOH2-OO6-2 ! C11OOH3-OO1-2 C11OOH3-OO2-2 C11OOH3-OO4-2 C11OOH3-OO5-2 C11OOH3-OO6-2 C11OOH3-OO7-2 ! C11OOH4-OO1-2 C11OOH4-OO2-2 C11OOH4-OO3-2 C11OOH4-OO5-2 C11OOH4-OO6-2 C11OOH4-OO7-2 C11OOH4-OO8-2 ! C11OOH5-OO1-2 C11OOH5-OO2-2 C11OOH5-OO3-2 C11OOH5-OO4-2 C11OOH5-OO6-2 C11OOH5-OO7-2 C11OOH5-OO8-2 C11OOH5-OO9-2 ! C11OOH6-OO2-2 C11OOH6-OO3-2 C11OOH6-OO4-2 C11OOH6-OO5-2 C11OOH6-OO7-2 C11OOH6-OO8-2 C11OOH6-OO9-2 C11OOH6OO10-2 ! C11OOH7-OO3-2 C11OOH7-OO4-2 C11OOH7-OO5-2 C11OOH7-OO6-2 C11OOH7-OO8-2 C11OOH7-OO9-2 C11OOH7OO10-2 ! C11OOH8-OO4-2 C11OOH8-OO5-2 C11OOH8-OO6-2 C11OOH8-OO7-2 C11OOH8-OO9-2 C11OOH8OO10-2 ! C11OOH9-OO5-2 C11OOH9-OO6-2 C11OOH9-OO7-2 C11OOH9-OO8-2 C11OOH9OO10-2 ! C11OOH10OO6-2 C11OOH10OO7-2 C11OOH10OO8-2 C11OOH10OO9-2 ! ! 2-METHYLDECANE CYCLIC ETHER SPECIES; NO RADICAL SITES C11H22O1-1-2 C11H22O1-2-2 C11H22O1-3-2 C11H22O1-4-2 C11H22O1-5-2 ! C11H22O2-3-2 C11H22O2-4-2 C11H22O2-5-2 C11H22O2-6-2 ! C11H22O3-4-2 C11H22O3-5-2 C11H22O3-6-2 C11H22O3-7-2 ! C11H22O4-5-2 C11H22O4-6-2 C11H22O4-7-2 C11H22O4-8-2 ! C11H22O5-6-2 C11H22O5-7-2 C11H22O5-8-2 C11H22O5-9-2 ! C11H22O6-7-2 C11H22O6-8-2 C11H22O6-9-2 C11H22O6-10-2 ! C11H22O7-8-2 C11H22O7-9-2 C11H22O7-10-2 ! C11H22O8-9-2 C11H22O8-10-2 ! C11H22O9-10-2 ! ! ! 2-METHYLDECANE KETO-HYDROPEROXIDE (KET) SPECIES; C11H22-1DENOTED AS C11 ! THERE ARE NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C11KET1-1-2 C11KET1-2-2 C11KET1-3-2 C11KET1-4-2 C11KET1-5-2 ! C11KET3-1-2 C11KET3-2-2 C11KET3-4-2 C11KET3-5-2 C11KET3-6-2 C11KET3-7-2 ! C11KET4-1-2 C11KET4-2-2 C11KET4-3-2 C11KET4-5-2 C11KET4-6-2 C11KET4-7-2 C11KET4-8-2 ! C11KET5-1-2 C11KET5-2-2 C11KET5-3-2 C11KET5-4-2 C11KET5-6-2 C11KET5-7-2 C11KET5-8-2 C11KET5-9-2 ! C11KET6-2-2 C11KET6-3-2 C11KET6-4-2 C11KET6-5-2 C11KET6-7-2 C11KET6-8-2 C11KET6-9-2 C11KET6-10-2 ! C11KET7-3-2 C11KET7-4-2 C11KET7-5-2 C11KET7-6-2 C11KET7-8-2 C11KET7-9-2 C11KET7-10-2 ! C11KET8-4-2 C11KET8-5-2 C11KET8-6-2 C11KET8-7-2 C11KET8-9-2 C11KET8-10-2 ! C11KET9-5-2 C11KET9-6-2 C11KET9-7-2 C11KET9-8-2 C11KET9-10-2 ! C11KET10-6-2 C11KET10-7-2 C11KET10-8-2 C11KET10-9-2 ! ! ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! 2-METHYLUNDECANE AND ITS CORRESPONDING ALKYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C12H26-2 C12H25-2A C12H25-2B C12H25-2C C12H25-2D C12H25-2E C12H25-2F C12H25-2G C12H25-2H C12H25-2I C12H25-2J C12H25-2K ! ! ALL 2-METHYLUNDECENES AND ITS CORRESPONDING ALKENYL RADICALS; ! RADICAL SITE DENOTED BY LETTER C12H24-1-2 C12H24-2-2 C12H24-3-2 C12H24-4-2 C12H24-5-2 C12H24-6-2 C12H24-7-2 C12H24-8-2 C12H24-9-2 C12H24-10-2 ! C12H23-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C12H23-1-2 RADICALS BELOW !! ! ! 2-METHYLUNDECANE RO. SPECIES; RADICAL SITE ON THE OXYGEN C12H25O-1-2 C12H25O-2-2 C12H25O-3-2 C12H25O-4-2 C12H25O-5-2 C12H25O-6-2 C12H25O-7-2 C12H25O-8-2 C12H25O-9-2 C12H25O-10-2 C12H25O-11-2 ! ! 2-METHYLUNDECANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN C12H25OO-1-2 C12H25OO-2-2 C12H25OO-3-2 C12H25OO-4-2 C12H25OO-5-2 C12H25OO-6-2 C12H25OO-7-2 C12H25OO-8-2 C12H25OO-9-2 C12H25OO-10-2 C12H25OO-11-2 ! ! 2-METHYLUNDECANE ROOH SPECIES; NO RADICAL SITES C12H25OOH-1-2 C12H25OOH-2-2 C12H25OOH-3-2 C12H25OOH-4-2 C12H25OOH-5-2 C12H25OOH-6-2 C12H25OOH-7-2 C12H25OOH-8-2 C12H25OOH-9-2 C12H25OOH-10-2 C12H25OOH-11-2 ! ! 2-METHYLUNDECANE .QOOH SPECIES; C12H24-1DENOTED AS C12 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER; ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS C12OOH1-2A C12OOH1-2B C12OOH1-2C C12OOH1-2D C12OOH1-2E ! C12OOH2-2A C12OOH2-2C C12OOH2-2D C12OOH2-2E C12OOH2-2F ! C12OOH3-2A C12OOH3-2B C12OOH3-2D C12OOH3-2E C12OOH3-2F C12OOH3-2G ! C12OOH4-2A C12OOH4-2B C12OOH4-2C C12OOH4-2E C12OOH4-2F C12OOH4-2G C12OOH4-2H ! C12OOH5-2A C12OOH5-2B C12OOH5-2C C12OOH5-2D C12OOH5-2F C12OOH5-2G C12OOH5-2H C12OOH5-2I ! C12OOH6-2B C12OOH6-2C C12OOH6-2D C12OOH6-2E C12OOH6-2G C12OOH6-2H C12OOH6-2I C12OOH6-2J ! C12OOH7-2C C12OOH7-2D C12OOH7-2E C12OOH7-2F C12OOH7-2H C12OOH7-2I C12OOH7-2J C12OOH7-2K ! C12OOH8-2D C12OOH8-2E C12OOH8-2F C12OOH8-2G C12OOH8-2I C12OOH8-2J C12OOH8-2K ! C12OOH9-2E C12OOH9-2F C12OOH9-2G C12OOH9-2H C12OOH9-2J C12OOH9-2K ! C12OOH10-2F C12OOH10-2G C12OOH10-2H C12OOH10-2I C12OOH10-2K ! C12OOH11-2G C12OOH11-2H C12OOH11-2I C12OOH11-2J ! ! 2-METHYLUNDECANE .OOQOOH SPECIES; C12H24-1DENOTED AS C12 ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! A HYPHEN IS NOT USED TO INDICATE OO POSITION ! RADICAL SITE ON THE OXYGEN IN O2 C12OOH1-OO1-2 C12OOH1-OO2-2 C12OOH1-OO3-2 C12OOH1-OO4-2 C12OOH1-OO5-2 ! C12OOH2-OO1-2 C12OOH2-OO3-2 C12OOH2-OO4-2 C12OOH2-OO5-2 C12OOH2-OO6-2 ! C12OOH3-OO1-2 C12OOH3-OO2-2 C12OOH3-OO4-2 C12OOH3-OO5-2 C12OOH3-OO6-2 C12OOH3-OO7-2 ! C12OOH4-OO1-2 C12OOH4-OO2-2 C12OOH4-OO3-2 C12OOH4-OO5-2 C12OOH4-OO6-2 C12OOH4-OO7-2 C12OOH4-OO8-2 ! C12OOH5-OO1-2 C12OOH5-OO2-2 C12OOH5-OO3-2 C12OOH5-OO4-2 C12OOH5-OO6-2 C12OOH5-OO7-2 C12OOH5-OO8-2 C12OOH5-OO9-2 ! C12OOH6-OO2-2 C12OOH6-OO3-2 C12OOH6-OO4-2 C12OOH6-OO5-2 C12OOH6-OO7-2 C12OOH6-OO8-2 C12OOH6-OO9-2 C12OOH6OO10-2 ! C12OOH7-OO3-2 C12OOH7-OO4-2 C12OOH7-OO5-2 C12OOH7-OO6-2 C12OOH7-OO8-2 C12OOH7-OO9-2 C12OOH7OO10-2 C12OOH7OO11-2 ! C12OOH8-OO4-2 C12OOH8-OO5-2 C12OOH8-OO6-2 C12OOH8-OO7-2 C12OOH8-OO9-2 C12OOH8OO10-2 C12OOH8OO11-2 ! C12OOH9-OO5-2 C12OOH9-OO6-2 C12OOH9-OO7-2 C12OOH9-OO8-2 C12OOH9OO10-2 C12OOH9OO11-2 ! C12OOH10OO6-2 C12OOH10OO7-2 C12OOH10OO8-2 C12OOH10OO9-2 C12OOH10OO11-2 ! C12OOH11OO7-2 C12OOH11OO8-2 C12OOH11OO9-2 C12OOH11OO10-2 ! ! 2-METHYLUNDECANE CYCLIC ETHER SPECIES; NO RADICAL SITES C12H24O1-1-2 C12H24O1-2-2 C12H24O1-3-2 C12H24O1-4-2 C12H24O1-5-2 ! C12H24O2-3-2 C12H24O2-4-2 C12H24O2-5-2 C12H24O2-6-2 ! C12H24O3-4-2 C12H24O3-5-2 C12H24O3-6-2 C12H24O3-7-2 ! C12H24O4-5-2 C12H24O4-6-2 C12H24O4-7-2 C12H24O4-8-2 ! C12H24O5-6-2 C12H24O5-7-2 C12H24O5-8-2 C12H24O5-9-2 ! C12H24O6-7-2 C12H24O6-8-2 C12H24O6-9-2 C12H24O6-10-2 ! C12H24O7-8-2 C12H24O7-9-2 C12H24O7-10-2 C12H24O7-11-2 ! C12H24O8-9-2 C12H24O8-10-2 C12H24O8-11-2 ! C12H24O9-10-2 C12H24O9-11-2 ! C12H24O10-11-2 ! ! ! 2-METHYLUNDECANE KETO-HYDROPEROXIDE (KET) SPECIES; C12H24-1DENOTED AS C12 ! THERE ARE NO RADICAL SITES ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C12KET1-1-2 C12KET1-2-2 C12KET1-3-2 C12KET1-4-2 C12KET1-5-2 ! C12KET3-1-2 C12KET3-2-2 C12KET3-4-2 C12KET3-5-2 C12KET3-6-2 C12KET3-7-2 ! C12KET4-1-2 C12KET4-2-2 C12KET4-3-2 C12KET4-5-2 C12KET4-6-2 C12KET4-7-2 C12KET4-8-2 ! C12KET5-1-2 C12KET5-2-2 C12KET5-3-2 C12KET5-4-2 C12KET5-6-2 C12KET5-7-2 C12KET5-8-2 C12KET5-9-2 ! C12KET6-2-2 C12KET6-3-2 C12KET6-4-2 C12KET6-5-2 C12KET6-7-2 C12KET6-8-2 C12KET6-9-2 C12KET6-10-2 ! C12KET7-3-2 C12KET7-4-2 C12KET7-5-2 C12KET7-6-2 C12KET7-8-2 C12KET7-9-2 C12KET7-10-2 C12KET7-11-2 ! C12KET8-4-2 C12KET8-5-2 C12KET8-6-2 C12KET8-7-2 C12KET8-9-2 C12KET8-10-2 C12KET8-11-2 ! C12KET9-5-2 C12KET9-6-2 C12KET9-7-2 C12KET9-8-2 C12KET9-10-2 C12KET9-11-2 ! C12KET10-6-2 C12KET10-7-2 C12KET10-8-2 C12KET10-9-2 C12KET10-11-2 ! C12KET11-7-2 C12KET11-8-2 C12KET11-9-2 C12KET11-10-2 ! ! ! ! ! 2009-09-25 WJP: add missing species: AC3H4CH2CHO C2H3CHCHO C6H5C2H C6H5C2H4P C6H5C2H4S ! ! ! ! ! TOLUO ! C4H2 NC4H3 C7H6 C6H5CH3 C6H5CH2J OC6H4CH3 HOC6H4CH3 OC6H4O HOC6H4CH2 HOC6H4CH2OO HOC6H4CH2O RODC6JDO OXCCXCCJXO BICPD C6JYOO CY13PD C6H5OH STYR DICYPD CYC5H9 BICPDJ CXCC(C#C)XC CYPDONE HCOCJXO CYC5H5OJ CYC5H5OH CYC5H4OH CXOCJOH CPDJONE CXCCXCXO CJXCCXCXO CXCCCJXO CXCCCO2J OXCCXCCXO CYC4H5O21 OXCCXCCJCXO CXOCXCCJ !C5H5O1_1 C4H4 NC4H5 C6H5CH2OOJ C6H5CH2OOH C6H5CH2OJ C6H5CH2OH C6H5CHOH C6H5CHO HOC6H4CH2OOH HOC6H4CHO HOC6H4CO C6H4OH C6H5O2 C6H6 CY13PD5J C6H5OJ FULVENE CYC5H8 CH2CY24PD CYC6H7 CXCCXCCJ LINC6H7 CXCCXCC CH3CY24PD CYC5H7U1 CXCCJCXC OXCJCXCCXC CJXCCXO HCOHCO CPDOOH OXCCXCCXCJ CXOCCCJCXO CXOCCXCJ OXCJCXCCCXO CXOCCCJXO CXOCCCXO C14H14 C14H13 STYLBEN XYLENE IND NAPH CXOCCJCXO CXOCCXO CPDCXC DHCO2J FULVENYL C6H5 CPDJCH3 C6H4CH3 C6H5CJO YOC6JDO CXOCJCXO C6H5C2H5 C12H10 PHCCHPH O2C6H4CH3 RODC6J(C)DO OCCXCCXCJC C5H4 C5H3 ! LC6H5 removed, but leave in so flame restart files still work. LC6H5 C6H4 CJCXCC#C CXCCXCCOH OC6H4CH2 ! CR1 CR2 CR3 CR4 CR5 C10H10 C10H9 C14H13OO ! C6H5C2H2 CH2O2H PHENA P-XYL MEC6H3CH3 PXYLCH2J MEC6H4CHO MEC6H4CJO HOMEC6H3CH3 OMEC6H3CH3 HO2MEC6H3CH3 O2MEC6H3CH3 MEC6H4CH2OJ MEC6H4CH2OH PXYLCH2OOH PXYLCH2OOJ ! ! ! ! ! END REACTIONS CAL/MOLE H + O2<=>O + OH 3.547E+15 -0.406 1.660E+04 REV/ 1.027E+13 -0.015 -1.330E+02 / O+H2<=>H + OH 5.080E+04 2.670 6.292E+03 REV/ 2.637E+04 2.651 4.880E+03 / OH+H2<=>H+H2O 2.160E+08 1.510 3.430E+03 REV/ 2.290E+09 1.404 1.832E+04 / O+H2O<=>OH + OH 2.970E+06 2.020 1.340E+04 REV/ 1.454E+05 2.107 -2.904E+03 / H2+M<=>H+H+M 4.577E+19 -1.400 1.044E+05 REV/ 1.145E+20 -1.676 8.200E+02 / H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ O2+M<=>O+O+M 4.420E+17 -0.634 1.189E+05 REV/ 6.165E+15 -0.500 0.000E+00 / H2/2.5/ H2O/12/ AR/.83/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.83/ OH+M<=>O+H+M 9.780E+17 -0.743 1.021E+05 REV/ 4.714E+18 -1.000 0.000E+00 / H2/2.5/ H2O/12/ AR/.75/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.75/ H2O+M<=>H + OH+M 1.907E+23 -1.830 1.185E+05 REV/ 4.500E+22 -2.000 0.000E+00 / H2/.73/ H2O/12/ AR/.38/ CH4/2/ C2H6/3/ HE/.38/ H + O2(+M)<=>HO2(+M) 1.475E+12 0.600 0.000E+00 !REV/ 3.091E+12 0.528 4.887E+04 / LOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 / TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 / !TROE FALL-OFF REACTION H2/1.3/ H2O/14/ AR/.67/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.67/ HO2+H<=>H2 + O2 1.660E+13 0.000 8.230E+02 REV/ 3.166E+12 0.348 5.551E+04 / HO2+H<=>OH + OH 7.079E+13 0.000 2.950E+02 REV/ 2.028E+10 0.720 3.684E+04 / HO2+O<=>OH + O2 3.250E+13 0.000 0.000E+00 REV/ 3.217E+12 0.329 5.328E+04 / HO2 + OH<=>H2O + O2 1.973E+10 0.962 -3.284E+02 REV/ 3.989E+10 1.204 6.925E+04 / H2O2 + O2<=>HO2+HO2 1.136E+16 -0.347 4.973E+04 REV/ 1.030E+14 0.000 1.104E+04 / DUP H2O2 + O2<=>HO2+HO2 2.141E+13 -0.347 3.728E+04 REV/ 1.940E+11 0.000 -1.409E+03 / DUP H2O2(+M)<=>OH + OH(+M) 2.951E+14 0.000 4.843E+04 !REV/ 3.656E+08 1.140 -2.584E+03 / LOW / 1.2020E+17 0.0000E+00 4.5500E+04 / TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 / !TROE FALL-OFF REACTION H2/2.5/ H2O/12/ AR/.64/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.64/ H2O2+H<=>H2O + OH 2.410E+13 0.000 3.970E+03 REV/ 1.265E+08 1.310 7.141E+04 / H2O2+H<=>H2+HO2 2.150E+10 1.000 6.000E+03 REV/ 3.716E+07 1.695 2.200E+04 / H2O2+O<=>OH+HO2 9.550E+06 2.000 3.970E+03 REV/ 8.568E+03 2.676 1.856E+04 / H2O2 + OH<=>H2O+HO2 2.000E+12 0.000 4.272E+02 REV/ 3.665E+10 0.589 3.132E+04 / DUP H2O2 + OH<=>H2O+HO2 1.700E+18 0.000 2.941E+04 REV/ 3.115E+16 0.589 6.030E+04 / DUP CO+O(+M)<=>CO2(+M) 1.800E+10 0.000 2.384E+03 !REV/ 9.874E+15 -0.934 1.300E+05 / LOW / 1.3500E+24 -2.7880E+00 4.1910E+03 / !LINDEMANN FALL-OFF REACTION H2/2/ O2/6/ H2O/6/ AR/.5/ CO/1.5/ CO2/3.5/ CH4/2/ C2H6/3/ HE/.5/ CO + O2<=>CO2+O 1.050E+12 0.000 4.254E+04 REV/ 8.035E+15 -0.800 5.123E+04 / CO + OH<=>CO2+H 2.230E+05 1.890 -1.158E+03 REV/ 5.896E+11 0.699 2.426E+04 / CO+HO2<=>CO2 + OH 3.010E+13 0.000 2.300E+04 REV/ 2.280E+16 -0.470 8.497E+04 / HCO+M<=>H+CO+M 4.750E+11 0.660 1.487E+04 REV/ 3.582E+10 1.041 -4.573E+02 / H2/2/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HCO + O2<=>CO+HO2 7.580E+12 0.000 4.100E+02 REV/ 1.198E+12 0.309 3.395E+04 / HCO+H<=>CO+H2 7.340E+13 0.000 0.000E+00 REV/ 2.212E+12 0.656 8.823E+04 / HCO+O<=>CO + OH 3.020E+13 0.000 0.000E+00 REV/ 4.725E+11 0.638 8.682E+04 / HCO+O<=>CO2+H 3.000E+13 0.000 0.000E+00 REV/ 1.241E+18 -0.553 1.122E+05 / HCO + OH<=>CO+H2O 1.020E+14 0.000 0.000E+00 REV/ 3.259E+13 0.551 1.031E+05 / HCO+CH3<=>CH4+CO 2.650E+13 0.000 0.000E+00 REV/ 7.286E+14 0.211 8.977E+04 / HCO+HO2<=>CH2O + O2 2.499E+14 -0.061 1.392E+04 REV/ 8.070E+15 0.000 5.342E+04 / HCO+HO2<=>CO2+H + OH 3.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / O2CHO<=>HCO + O2 9.959E+15 -1.126 4.100E+04 REV/ 1.200E+11 0.000 -1.100E+03 / CH2O + O2CHO<=>HCO+HO2CHO 1.990E+12 0.000 1.166E+04 REV/ 3.908E+14 -0.909 1.181E+04 / HO2CHO<=>OCHO + OH 5.010E+14 0.000 4.015E+04 REV/ 1.0E13 0.0 0.0 /!WJP ESTIMATE. REV/ 3.856E+08 1.532 -6.372E+03 / OCHO+M<=>H+CO2+M 5.318E+14 -0.353 1.758E+04 REV/ 7.500E+13 0.000 2.900E+04 / CH2O+CO<=>HCO+HCO 9.186E+13 0.370 7.304E+04 REV/ 1.800E+13 0.000 0.000E+00 / HCO+HCO<=>H2+CO+CO 3.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / HCO+H(+M)<=>CH2O(+M) 1.090E+12 0.480 -2.600E+02 !REV/ 7.377E+13 0.469 8.811E+04 / LOW / 1.3500E+24 -2.5700E+00 1.4250E+03 / TROE / 7.8240E-01 2.7100E+02 2.7550E+03 6.5700E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ CO+H2(+M)<=>CH2O(+M) 4.300E+07 1.500 7.960E+04 !REV/ 9.656E+10 0.833 7.974E+04 / LOW / 5.0700E+27 -3.4200E+00 8.4348E+04 / TROE / 9.3200E-01 1.9700E+02 1.5400E+03 1.0300E+04 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ CH2O + OH<=>HCO+H2O 7.820E+07 1.630 -1.055E+03 REV/ 4.896E+06 1.811 2.903E+04 / CH2O+H<=>HCO+H2 5.740E+07 1.900 2.740E+03 REV/ 3.390E+05 2.187 1.793E+04 / CH2O+O<=>HCO + OH 6.260E+09 1.150 2.260E+03 REV/ 1.919E+07 1.418 1.604E+04 / CH2O+CH3<=>HCO+CH4 3.830E+01 3.360 4.312E+03 REV/ 2.063E+02 3.201 2.104E+04 / CH2O+HO2<=>HCO+H2O2 7.100E-03 4.517 6.580E+03 REV/ 2.426E-02 4.108 5.769E+03 / HOCH2O<=>CH2O + OH 2.056E+21 -2.336 2.573E+04 REV/ 4.500E+15 -1.100 0.000E+00 / HOCH2O<=>HOCHO+H 1.000E+14 0.000 1.490E+04 REV/ 1.123E+15 -0.295 1.150E+04 / HOCHO<=>CO+H2O 2.450E+12 0.000 6.047E+04 REV/ 2.255E+03 2.093 5.289E+04 / HOCHO<=>CO2+H2 2.950E+09 0.000 4.852E+04 REV/ 6.772E+05 1.008 5.147E+04 / HOCHO<=>HCO + OH 3.471E+22 -1.542 1.107E+05 REV/ 1.000E+14 0.000 0.000E+00 / HOCHO + O2<=>OCHO+HO2 4.101E+12 -0.308 5.988E+04 REV/ 3.500E+10 0.000 -3.275E+03 / HOCHO + OH<=>H2O+CO2+H 2.620E+06 2.060 9.160E+02 REV/ 0.000E+00 0.000 0.000E+00 / HOCHO + OH<=>H2O+CO + OH 1.850E+07 1.510 -9.620E+02 REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+H=>H2+CO2+H 4.240E+06 2.100 4.868E+03 ! WJP: FWD ONLY. !REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+H<=>H2+CO + OH 6.030E+13 -0.350 2.988E+03 REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+CH3<=>CH4+CO + OH 3.900E-07 5.800 2.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+HO2<=>OCHO+H2O2 2.549E+12 0.040 3.447E+04 REV/ 2.400E+12 0.000 1.000E+04 / HOCHO+HO2=>H2O2+CO + OH 1.000E+12 0.000 1.192E+04 ! WJP: FWD ONLY. !REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+O=>CO + OH + OH 1.770E+18 -1.900 2.975E+03 ! WJP: FWD ONLY. !REV/ 0.000E+00 0.000 0.000E+00 / HOCHO+HCO<=>CH2O+OCHO 8.584E+11 0.040 2.675E+04 REV/ 5.600E+12 0.000 1.360E+04 / CH3O(+M)<=>CH2O+H(+M) 6.800E+13 0.000 2.617E+04 !REV/ 1.049E+12 0.388 3.878E+03 / LOW / 1.8670E+25 -3.0000E+00 2.4307E+04 / TROE / 9.0000E-01 2.5000E+03 1.3000E+03 1.0000E+99 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ CH3O + O2<=>CH2O+HO2 4.380E-19 9.500 -5.501E+03 REV/ 1.416E-20 9.816 2.108E+04 / CH2O+CH3O<=>CH3OH+HCO 6.620E+11 0.000 2.294E+03 REV/ 8.393E+10 0.074 1.771E+04 / CH4+CH3O<=>CH3+CH3OH 6.119E+02 2.867 8.248E+03 REV/ 1.440E+01 3.100 6.935E+03 / CH3O+CH3<=>CH2O+CH4 1.200E+13 0.000 0.000E+00 REV/ 6.749E+13 0.218 8.281E+04 / CH3O+H<=>CH2O+H2 2.000E+13 0.000 0.000E+00 REV/ 1.233E+11 0.664 8.127E+04 / CH3O+HO2<=>CH2O+H2O2 3.010E+11 0.000 0.000E+00 REV/ 1.074E+12 -0.031 6.527E+04 / CH2O+H(+M)<=>CH2OH(+M) 5.400E+11 0.454 3.600E+03 !REV/ 8.653E+12 -0.038 3.241E+04 / LOW / 1.2700E+32 -4.8200E+00 6.5300E+03 / TROE / 7.1870E-01 1.0300E+02 1.2910E+03 4.1600E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ CH2OH + O2<=>CH2O+HO2 1.510E+15 -1.000 0.000E+00 REV/ 1.975E+14 -0.580 2.006E+04 / DUP CH2OH + O2<=>CH2O+HO2 2.410E+14 0.000 5.017E+03 REV/ 3.152E+13 0.420 2.508E+04 / DUP CH2OH+H<=>CH2O+H2 6.000E+12 0.000 0.000E+00 REV/ 1.497E+11 0.768 7.475E+04 / CH2OH+HO2<=>CH2O+H2O2 1.200E+13 0.000 0.000E+00 REV/ 1.732E+14 0.073 5.875E+04 / CH2OH+HCO<=>CH2O+CH2O 1.800E+14 0.000 0.000E+00 REV/ 7.602E+14 0.481 5.956E+04 / CH2OH+CH3O<=>CH2O+CH3OH 2.400E+13 0.000 0.000E+00 REV/ 1.285E+13 0.555 7.498E+04 / CH2OH+CH2O<=>CH3OH+HCO 1.878E+04 2.722 4.208E+03 REV/ 9.630E+03 2.900 1.311E+04 / OH+CH2OH<=>H2O+CH2O 2.400E+13 0.000 0.000E+00 REV/ 6.347E+12 0.662 8.964E+04 / O+CH2OH<=>OH+CH2O 4.200E+13 0.000 0.000E+00 REV/ 5.438E+11 0.749 7.334E+04 / CH2O+CH3OH<=>CH2OH+CH2OH 6.498E+12 0.659 6.846E+04 REV/ 3.000E+12 0.000 0.000E+00 / CH2OH+HO2<=>HOCH2O + OH 1.000E+13 0.000 0.000E+00 REV/ 8.169E+13 -0.024 3.347E+04 / OCH2O2H<=>CH2O+HO2 1.278E+18 -1.800 1.046E+04 REV/ 1.500E+11 0.000 1.190E+04 / OCH2O2H<=>HOCH2O2 3.000E+11 0.000 8.600E+03 REV/ 4.241E+08 0.950 2.620E+04 / HOCH2O2+HO2<=>HOCH2O2H + O2 3.500E+10 0.000 -3.275E+03 REV/ 1.046E+14 -0.840 3.487E+04 / HOCH2O2H<=>HOCH2O + OH 1.023E+21 -1.920 4.249E+04 REV/ 1.000E+13 0.000 0.000E+00 / CH3OH(+M)<=>CH3 + OH(+M) 1.900E+16 0.000 9.173E+04 !REV/ 1.025E+11 0.779 -7.520E+02 / LOW / 2.9500E+44 -7.3500E+00 9.5460E+04 / TROE / 4.1400E-01 2.7900E+02 5.4590E+03 1.0000E+10 / !TROE FALL-OFF REACTION CH3OH(+M)<=>CH2OH+H(+M) 2.690E+16 -0.080 9.894E+04 !REV/ 7.749E+14 -0.247 1.668E+03 / LOW / 2.3400E+40 -6.3300E+00 1.0310E+05 / TROE / 7.7300E-01 6.9300E+02 5.3330E+03 1.0000E+10 / !TROE FALL-OFF REACTION CH3OH+H<=>CH3O+H2 3.600E+12 0.000 6.095E+03 REV/ 1.677E+11 0.212 5.868E+03 / CH3OH+H<=>CH2OH+H2 1.204E+06 2.400 2.583E+03 REV/ 1.386E+04 2.509 8.871E+03 / CH3OH+O<=>CH2OH + OH 3.880E+05 2.500 3.080E+03 REV/ 2.319E+03 2.590 7.956E+03 / CH3OH + OH<=>CH3O+H2O 5.130E+05 2.130 2.450E+03 REV/ 2.534E+05 2.237 1.712E+04 / CH3OH + OH<=>CH2OH+H2O 1.440E+06 2.000 -8.390E+02 REV/ 1.758E+05 2.003 2.034E+04 / CH3OH + O2<=>CH2OH+HO2 2.050E+13 0.000 4.490E+04 REV/ 1.238E+12 -0.239 -3.501E+03 / CH3OH+HO2<=>CH2OH+H2O2 1.080E+04 2.550 1.053E+04 REV/ 7.195E+04 1.963 8.190E+02 / CH3OH+CH3<=>CH2OH+CH4 3.190E+01 3.170 7.172E+03 REV/ 3.351E+02 2.833 1.500E+04 / CH3O+CH3OH<=>CH2OH+CH3OH 3.000E+11 0.000 4.074E+03 REV/ 7.416E+10 -0.104 1.059E+04 / CH3OH+CH2O<=>CH3O+CH3O 7.981E+12 0.452 8.149E+04 REV/ 6.030E+13 0.000 0.000E+00 / CH3+H(+M)<=>CH4(+M) 1.270E+16 -0.600 3.830E+02 !REV/ 4.631E+18 -0.770 1.055E+05 / LOW / 2.4770E+33 -4.7600E+00 2.4440E+03 / TROE / 7.8300E-01 7.4000E+01 2.9400E+03 6.9600E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ CH4+H<=>CH3+H2 6.140E+05 2.500 9.587E+03 REV/ 6.730E+02 2.946 8.047E+03 / CH4 + OH<=>CH3+H2O 5.830E+04 2.600 2.190E+03 REV/ 6.776E+02 2.940 1.554E+04 / CH4+O<=>CH3 + OH 1.020E+09 1.500 8.600E+03 REV/ 5.804E+05 1.927 5.648E+03 / CH4+HO2<=>CH3+H2O2 1.130E+01 3.740 2.101E+04 REV/ 7.166E+00 3.491 3.468E+03 / CH4+CH2<=>CH3+CH3 2.460E+06 2.000 8.270E+03 REV/ 1.736E+06 1.868 1.298E+04 / CH3 + OH<=>CH2O+H2 8.000E+09 0.500 -1.755E+03 REV/ 1.066E+12 0.322 6.821E+04 / CH3 + OH<=>CH2(S)+H2O 4.508E+17 -1.340 1.417E+03 REV/ 1.654E+16 -0.855 1.039E+03 / CH3 + OH<=>CH3O+H 6.943E+07 1.343 1.120E+04 REV/ 1.500E+12 0.500 -1.100E+02 / CH3 + OH<=>CH2OH+H 3.090E+07 1.596 4.506E+03 REV/ 1.650E+11 0.650 -2.840E+02 / CH3 + OH<=>CH2+H2O 5.600E+07 1.600 5.420E+03 REV/ 9.224E+05 2.072 1.406E+04 / CH3+HO2<=>CH3O + OH 1.000E+12 0.269 -6.875E+02 REV/ 6.190E+12 0.147 2.455E+04 / CH3+HO2<=>CH4 + O2 1.160E+05 2.230 -3.022E+03 REV/ 2.018E+07 2.132 5.321E+04 / CH3+O<=>CH2O+H 5.540E+13 0.050 -1.360E+02 REV/ 3.830E+15 -0.147 6.841E+04 / CH3 + O2<=>CH3O+O 7.546E+12 0.000 2.832E+04 REV/ 4.718E+14 -0.451 2.880E+02 / CH3 + O2<=>CH2O + OH 2.641E+00 3.283 8.105E+03 REV/ 5.285E-01 3.477 5.992E+04 / CH3 + O2(+M)<=>CH3O2(+M) 7.812E+09 0.900 0.000E+00 !REV/ 5.655E+15 -0.313 3.333E+04 / LOW / 6.8500E+24 -3.0000E+00 0.0000E+00 / TROE / 6.0000E-01 1.0000E+03 7.0000E+01 1.7000E+03 / !TROE FALL-OFF REACTION CH3O2+CH2O<=>CH3O2H+HCO 1.990E+12 0.000 1.166E+04 REV/ 1.323E+14 -0.853 9.259E+03 / CH4+CH3O2<=>CH3+CH3O2H 1.810E+11 0.000 1.848E+04 REV/ 2.233E+12 -0.694 -6.550E+02 / CH3OH+CH3O2<=>CH2OH+CH3O2H 1.810E+12 0.000 1.371E+04 REV/ 2.346E+14 -1.031 2.404E+03 / CH3O2+CH3<=>CH3O+CH3O 5.080E+12 0.000 -1.411E+03 REV/ 1.967E+12 0.176 2.807E+04 / CH3O2+HO2<=>CH3O2H + O2 2.470E+11 0.000 -1.570E+03 REV/ 5.302E+14 -0.792 3.552E+04 / CH3O2+CH3O2<=>CH2O+CH3OH + O2 3.110E+14 -1.610 -1.051E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH3O2+CH3O2<=>O2+CH3O+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH3O2+H<=>CH3O + OH 9.600E+13 0.000 0.000E+00 REV/ 1.720E+09 1.019 4.078E+04 / CH3O2+O<=>CH3O + O2 3.600E+13 0.000 0.000E+00 REV/ 2.229E+11 0.628 5.752E+04 / CH3O2 + OH<=>CH3OH + O2 6.000E+13 0.000 0.000E+00 REV/ 1.536E+13 0.434 5.916E+04 / CH3O2H<=>CH3O + OH 6.310E+14 0.000 4.230E+04 REV/ 2.514E+06 1.883 -2.875E+03 / !BASED ON GRI MECH AND JETSURF REACTION SHOULD HAVE AN "M" IN IT: WJP CH2(S)+M<=>CH2+M 1.000E+13 0.000 0.000E+00 !CH2(S)<=>CH2 1.000E+13 0.000 0.000E+00 REV/ 4.488E+12 -0.013 9.020E+03 / CH2(S)+CH4<=>CH3+CH3 1.600E+13 0.000 -5.700E+02 REV/ 5.067E+12 -0.145 1.316E+04 / CH2(S) + O2<=>CO + OH+H 7.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH2(S)+H2<=>CH3+H 7.000E+13 0.000 0.000E+00 REV/ 2.022E+16 -0.591 1.527E+04 / CH2(S)+H<=>CH2+H 3.000E+13 0.000 0.000E+00 REV/ 1.346E+13 -0.013 9.020E+03 / CH2(S)+H<=>CH+H2 3.000E+13 0.000 0.000E+00 REV/ 6.948E+13 -0.253 1.248E+04 / CH2(S)+O<=>CO+H+H 3.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH2(S) + OH<=>CH2O+H 3.000E+13 0.000 0.000E+00 REV/ 1.154E+18 -0.770 8.523E+04 / CH2(S)+CO2<=>CH2O+CO 3.000E+12 0.000 0.000E+00 REV/ 4.366E+10 0.421 5.981E+04 / CH2+H(+M)<=>CH3(+M) 2.500E+16 -0.800 0.000E+00 !REV/ 6.432E+18 -1.103 1.098E+05 / LOW / 3.2000E+27 -3.1400E+00 1.2300E+03 / TROE / 6.8000E-01 7.8000E+01 1.9950E+03 5.5900E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ CH2 + O2<=>CH2O+O 2.400E+12 0.000 1.500E+03 REV/ 5.955E+14 -0.365 6.098E+04 / CH2 + O2<=>CO2+H+H 5.800E+12 0.000 1.500E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH2 + O2<=>CO + OH+H 5.000E+12 0.000 1.500E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH2+O<=>CO+H+H 5.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH2+H<=>CH+H2 1.000E+18 -1.560 0.000E+00 REV/ 5.160E+18 -1.800 3.460E+03 / DUP CH2 + OH<=>CH+H2O 1.130E+07 2.000 3.000E+03 REV/ 6.183E+08 1.655 2.135E+04 / CH + O2<=>HCO+O 3.300E+13 0.000 0.000E+00 REV/ 9.371E+12 0.161 7.121E+04 / C + OH<=>CO+H 5.000E+13 0.000 0.000E+00 REV/ 1.356E+15 0.000 1.543E+05 / C + O2<=>CO+O 5.000E+13 0.000 0.000E+00 REV/ 1.070E+14 0.000 1.382E+05 / CH+H<=>C+H2 5.000E+13 0.000 0.000E+00 REV/ 2.043E+14 0.000 2.382E+04 / CH+O<=>CO+H 5.700E+13 0.000 0.000E+00 REV/ 2.774E+15 0.000 1.760E+05 / CH + OH<=>HCO+H 3.000E+13 0.000 0.000E+00 REV/ 5.069E+14 0.000 8.811E+04 / CH2+H<=>CH+H2 2.700E+11 0.670 2.570E+04 REV/ 1.897E+11 0.670 2.873E+04 / DUP CH+H2O<=>H+CH2O 1.713E+13 0.000 -7.550E+02 REV/ 8.372E+14 0.000 5.752E+04 / CH+CO2<=>HCO+CO 1.700E+12 0.000 6.850E+02 REV/ 2.565E+11 0.000 6.646E+04 / CH3+CH3(+M)<=>C2H6(+M) 9.214E+16 -1.170 6.358E+02 !REV/ 1.904E+25 -2.604 9.168E+04 / LOW / 1.1350E+36 -5.2460E+00 1.7050E+03 / TROE / 4.0500E-01 1.1200E+03 6.9600E+01 1.0000E+10 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H5+H(+M)<=>C2H6(+M) 5.210E+17 -0.990 1.580E+03 !REV/ 2.254E+21 -1.396 1.029E+05 / LOW / 1.9900E+41 -7.0800E+00 6.6850E+03 / TROE / 8.4200E-01 1.2500E+02 2.2190E+03 6.8820E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H6+H<=>C2H5+H2 1.150E+08 1.900 7.530E+03 REV/ 1.062E+04 2.582 9.760E+03 / C2H6+O<=>C2H5 + OH 3.550E+06 2.400 5.830E+03 REV/ 1.702E+02 3.063 6.648E+03 / C2H6 + OH<=>C2H5+H2O 1.480E+07 1.900 9.500E+02 REV/ 1.450E+04 2.476 1.807E+04 / C2H6 + O2<=>C2H5+HO2 6.030E+13 0.000 5.187E+04 REV/ 2.921E+10 0.334 -5.930E+02 / C2H6+CH3<=>C2H5+CH4 1.510E-07 6.000 6.047E+03 REV/ 1.273E-08 6.236 9.817E+03 / C2H6+HO2<=>C2H5+H2O2 3.460E+01 3.610 1.692E+04 REV/ 1.849E+00 3.597 3.151E+03 / C2H6+CH3O2<=>C2H5+CH3O2H 1.940E+01 3.640 1.710E+04 REV/ 2.017E+01 3.182 1.734E+03 / C2H6+CH3O<=>C2H5+CH3OH 2.410E+11 0.000 7.090E+03 REV/ 4.779E+08 0.469 9.547E+03 / C2H6+CH<=>C2H5+CH2 1.100E+14 0.000 -2.600E+02 REV/ 1.969E+09 0.921 -1.490E+03 / CH2(S)+C2H6<=>CH3+C2H5 1.200E+14 0.000 0.000E+00 REV/ 3.203E+12 0.091 1.750E+04 / C2H4+H(+M)<=>C2H5(+M) 1.081E+12 0.454 1.822E+03 !REV/ 1.946E+12 0.334 3.731E+04 / LOW / 1.2000E+42 -7.6200E+00 6.9700E+03 / TROE / 9.7500E-01 2.1000E+02 9.8400E+02 4.3740E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ H2+CH3O2<=>H+CH3O2H 1.500E+14 0.000 2.603E+04 REV/ 1.688E+18 -1.140 8.434E+03 / H2+C2H5O2<=>H+C2H5O2H 1.500E+14 0.000 2.603E+04 REV/ 1.691E+18 -1.140 8.438E+03 / C2H5+C2H3<=>C2H4+C2H4 6.859E+11 0.110 -4.300E+03 REV/ 4.820E+14 0.000 7.153E+04 / CH3+C2H5<=>CH4+C2H4 1.180E+04 2.450 -2.921E+03 REV/ 2.390E+06 2.400 6.669E+04 / C2H5+H<=>CH3+CH3 9.690E+13 0.000 2.200E+02 REV/ 2.029E+09 1.028 1.051E+04 / C2H5+H<=>C2H4+H2 2.000E+12 0.000 0.000E+00 REV/ 4.440E+11 0.396 6.807E+04 / C2H5+O<=>CH3CHO+H 1.100E+14 0.000 0.000E+00 REV/ 1.033E+17 -0.500 7.742E+04 / C2H5+HO2<=>C2H5O + OH 1.100E+13 0.000 0.000E+00 REV/ 9.680E+15 -0.723 2.765E+04 / CH3O2+C2H5<=>CH3O+C2H5O 8.000E+12 0.000 -1.000E+03 REV/ 4.404E+14 -0.425 3.089E+04 / C2H5O + O2<=>CH3CHO+HO2 4.280E+10 0.000 1.097E+03 REV/ 1.322E+08 0.615 3.413E+04 / C2H5O<=>CH3+CH2O 1.321E+20 -2.018 2.075E+04 REV/ 3.000E+11 0.000 6.336E+03 / C2H5O<=>CH3CHO+H 5.428E+15 -0.687 2.223E+04 REV/ 8.000E+12 0.000 6.400E+03 / C2H5O2<=>C2H5 + O2 1.312E+62 -14.784 4.918E+04 REV/ 2.876E+56 -13.820 1.462E+04 / C2H5O2+CH2O<=>C2H5O2H+HCO 1.990E+12 0.000 1.166E+04 REV/ 1.325E+14 -0.853 9.263E+03 / CH4+C2H5O2<=>CH3+C2H5O2H 1.810E+11 0.000 1.848E+04 REV/ 2.237E+12 -0.694 -6.510E+02 / CH3OH+C2H5O2<=>CH2OH+C2H5O2H 1.810E+12 0.000 1.371E+04 REV/ 2.350E+14 -1.031 2.408E+03 / C2H5O2+HO2<=>C2H5O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.763E+13 -0.792 3.382E+04 / C2H6+C2H5O2<=>C2H5+C2H5O2H 8.600E+00 3.760 1.720E+04 REV/ 8.957E+00 3.302 1.838E+03 / C2H5O2H<=>C2H5O + OH 6.310E+14 0.000 4.230E+04 REV/ 5.661E+08 1.033 -1.705E+03 / C2H4O2H<=>C2H5 + O2 4.374E+47 -12.115 3.102E+04 REV/ 1.814E+45 -11.500 1.460E+04 / C2H5 + O2<=>C2H4+HO2 7.561E+14 -1.010 4.749E+03 REV/ 8.802E+14 -0.962 1.813E+04 / DUP C2H5 + O2<=>C2H4+HO2 4.000E-01 3.880 1.362E+04 REV/ 4.656E-01 3.928 2.700E+04 / DUP C2H5 + O2<=>C2H4O1-2 + OH 1.626E+11 -0.310 6.150E+03 REV/ 3.633E+13 -0.626 3.984E+04 / C2H5 + O2<=>CH3CHO + OH 8.265E+02 2.410 5.285E+03 REV/ 2.247E+03 2.301 6.597E+04 / C2H5O2<=>C2H4O2H 2.276E+39 -8.479 4.517E+04 REV/ 1.203E+36 -8.130 2.702E+04 / C2H5O2<=>CH3CHO + OH 2.520E+41 -10.200 4.371E+04 REV/ 1.502E+36 -9.345 6.984E+04 / C2H5O2<=>C2H4+HO2 1.815E+38 -8.450 3.789E+04 REV/ 4.632E+32 -7.438 1.670E+04 / C2H5O2<=>C2H4O1-2 + OH 4.000E+43 -10.460 4.558E+04 REV/ 1.959E+40 -9.812 4.471E+04 / C2H4O2H<=>C2H4O1-2 + OH 8.848E+30 -6.080 2.066E+04 REV/ 8.199E+30 -5.781 3.793E+04 / C2H4O2H<=>C2H4+HO2 3.980E+34 -7.250 2.325E+04 REV/ 1.922E+32 -6.587 2.021E+04 / C2H4O2H<=>CH3CHO + OH 1.188E+34 -9.020 2.921E+04 REV/ 1.339E+32 -8.514 7.348E+04 / C2H4O1-2<=>CH3+HCO 3.630E+13 0.000 5.720E+04 REV/ 1.006E+04 1.549 -2.750E+03 / C2H4O1-2<=>CH3CHO 7.407E+12 0.000 5.380E+04 REV/ 9.013E+10 0.207 8.080E+04 / C2H4O1-2 + OH<=>C2H3O1-2+H2O 1.780E+13 0.000 3.610E+03 REV/ 1.347E+10 0.693 2.474E+04 / C2H4O1-2+H<=>C2H3O1-2+H2 8.000E+13 0.000 9.680E+03 REV/ 5.710E+09 0.799 1.592E+04 / C2H4O1-2+HO2<=>C2H3O1-2+H2O2 1.130E+13 0.000 3.043E+04 REV/ 4.666E+11 0.104 2.067E+04 / C2H4O1-2+CH3O2<=>C2H3O1-2+CH3O2H 1.130E+13 0.000 3.043E+04 REV/ 9.078E+12 -0.341 1.907E+04 / C2H4O1-2+C2H5O2<=>C2H3O1-2+C2H5O2H 1.130E+13 0.000 3.043E+04 REV/ 9.093E+12 -0.341 1.908E+04 / C2H4O1-2+CH3<=>C2H3O1-2+CH4 1.070E+12 0.000 1.183E+04 REV/ 6.967E+10 0.353 1.961E+04 / C2H4O1-2+CH3O<=>C2H3O1-2+CH3OH 1.200E+11 0.000 6.750E+03 REV/ 1.839E+08 0.586 1.322E+04 / C2H3O1-2<=>CH3CO 8.500E+14 0.000 1.400E+04 REV/ 1.002E+14 0.041 4.871E+04 / C2H3O1-2<=>CH2CHO 1.000E+14 0.000 1.400E+04 REV/ 1.245E+15 -0.375 4.401E+04 / CH3CHO<=>CH3+HCO 7.687E+20 -1.342 8.695E+04 REV/ 1.750E+13 0.000 0.000E+00 / CH3CHO+H<=>CH3CO+H2 2.370E+13 0.000 3.642E+03 REV/ 1.639E+10 0.633 1.760E+04 / CH3CHO+O<=>CH3CO + OH 5.940E+12 0.000 1.868E+03 REV/ 2.133E+09 0.614 1.441E+04 / CH3CHO + OH<=>CH3CO+H2O 3.370E+12 0.000 -6.190E+02 REV/ 2.472E+10 0.527 2.823E+04 / CH3CHO + O2<=>CH3CO+HO2 3.010E+13 0.000 3.915E+04 REV/ 1.092E+11 0.285 -1.588E+03 / CH3CHO+CH3<=>CH3CO+CH4 7.080E-04 4.580 1.966E+03 REV/ 4.468E-04 4.767 1.746E+04 / CH3CHO+HO2<=>CH3CO+H2O2 3.010E+12 0.000 1.192E+04 REV/ 1.205E+12 -0.062 9.877E+03 / CH3O2+CH3CHO<=>CH3O2H+CH3CO 3.010E+12 0.000 1.192E+04 REV/ 2.344E+13 -0.507 8.282E+03 / CH3CHO+CH3CO3<=>CH3CO+CH3CO3H 3.010E+12 0.000 1.192E+04 REV/ 1.922E+12 -0.010 1.265E+04 / CH3CHO + OH<=>CH3+HOCHO 3.000E+15 -1.076 0.000E+00 REV/ 2.371E+16 -1.277 2.375E+04 / CH3CHO + OH<=>CH2CHO+H2O 1.720E+05 2.400 8.150E+02 REV/ 1.332E+05 2.511 2.495E+04 / CH3CO(+M)<=>CH3+CO(+M) 3.000E+12 0.000 1.672E+04 !REV/ 2.976E+06 1.365 4.049E+03 / LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / !LINDEMANN FALL-OFF REACTION CH3CO+H<=>CH2CO+H2 2.000E+13 0.000 0.000E+00 REV/ 1.037E+13 0.201 6.056E+04 / CH3CO+O<=>CH2CO + OH 2.000E+13 0.000 0.000E+00 REV/ 5.381E+12 0.182 5.914E+04 / CH3CO+CH3<=>CH2CO+CH4 5.000E+13 0.000 0.000E+00 REV/ 2.364E+16 -0.245 6.210E+04 / CH3CO3<=>CH3CO + O2 6.863E+19 -1.949 3.853E+04 REV/ 1.200E+11 0.000 -1.100E+03 / CH3CO3+HO2<=>CH3CO3H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.080E+12 -0.294 3.818E+04 / H2O2+CH3CO3<=>HO2+CH3CO3H 2.410E+12 0.000 9.936E+03 REV/ 3.845E+12 0.053 1.271E+04 / CH4+CH3CO3<=>CH3+CH3CO3H 1.810E+11 0.000 1.848E+04 REV/ 1.831E+11 -0.196 3.711E+03 / CH2O+CH3CO3<=>HCO+CH3CO3H 1.990E+12 0.000 1.166E+04 REV/ 1.085E+13 -0.356 1.362E+04 / C2H6+CH3CO3<=>C2H5+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 1.450E+12 0.040 9.460E+03 / CH3CO3H<=>CH3CO2 + OH 5.010E+14 0.000 4.015E+04 REV/ 3.618E+07 1.761 1.338E+03 / CH3CO2+M<=>CH3+CO2+M 4.400E+15 0.000 1.050E+04 REV/ 4.548E+08 1.378 1.752E+04 / CH2CHO<=>CH2CO+H 4.071E+15 -0.342 5.060E+04 REV/ 5.000E+13 0.000 1.230E+04 / CH2CHO + O2<=>CH2O+CO + OH 8.950E+13 -0.600 1.012E+04 REV/ 0.000E+00 0.000 0.000E+00 / CH2+CO(+M)<=>CH2CO(+M) 8.100E+11 0.000 0.000E+00 !REV/ 2.724E+20 -1.743 7.948E+04 / LOW / 2.6900E+33 -5.1100E+00 7.0950E+03 / TROE / 5.9070E-01 2.7500E+02 1.2260E+03 5.1850E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ CH2CO+H<=>CH3+CO 1.100E+13 0.000 3.400E+03 REV/ 2.400E+12 0.000 4.020E+04 / CH2CO+H<=>HCCO+H2 2.000E+14 0.000 8.000E+03 REV/ 1.434E+11 0.470 4.520E+03 / CH2CO+O<=>CH2+CO2 1.750E+12 0.000 1.350E+03 REV/ 2.854E+09 0.809 4.944E+04 / CH2CO+O<=>HCCO + OH 1.000E+13 0.000 8.000E+03 REV/ 3.723E+09 0.452 3.108E+03 / CH2CO + OH<=>HCCO+H2O 1.000E+13 0.000 2.000E+03 REV/ 7.604E+10 0.365 1.341E+04 / CH2CO + OH<=>CH2OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 8.170E+09 0.494 2.453E+04 / CH2(S)+CH2CO<=>C2H4+CO 1.600E+14 0.000 0.000E+00 REV/ 3.750E+14 0.217 1.034E+05 / HCCO + OH<=>H2+CO+CO 1.000E+14 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / H+HCCO<=>CH2(S)+CO 1.100E+13 0.000 0.000E+00 REV/ 4.061E+07 1.561 1.854E+04 / HCCO+O<=>H+CO+CO 8.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / HCCO + O2<=>OH+CO+CO 4.200E+10 0.000 8.500E+02 REV/ 0.000E+00 0.000 0.000E+00 / HCCO+M<=>CH+CO+M 6.500E+15 0.000 5.882E+04 REV/ 7.6E22 -1.9 0.0 / !!! REV/ 1.391E+11 1.033 -1.372E+04 / !WJP: REV RATE FROM THERMO ABOVE COLLISIONAL CH+CH2O<=>H+CH2CO 9.460E+13 0.000 -5.150E+02 REV/ 1.623E+15 0.000 6.906E+04 / CH+HCCO<=>CO+C2H2 5.000E+13 0.000 0.000E+00 REV/ 1.721E+17 0.000 1.646E+05 / C2H3+H(+M)<=>C2H4(+M) 1.360E+14 0.173 6.600E+02 !REV/ 1.721E+17 -0.057 1.120E+05 / LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H4(+M)<=>C2H2+H2(+M) 8.000E+12 0.440 8.877E+04 !REV/ 6.183E+09 0.923 4.669E+04 / LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 / TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H4+H<=>C2H3+H2 5.070E+07 1.930 1.295E+04 REV/ 1.602E+04 2.436 5.190E+03 / C2H4+O<=>CH3+HCO 8.564E+06 1.880 1.830E+02 REV/ 3.297E+02 2.602 2.614E+04 / C2H4+O<=>CH2CHO+H 4.986E+06 1.880 1.830E+02 REV/ 1.541E+09 1.201 1.878E+04 / C2H4 + OH<=>C2H3+H2O 1.800E+06 2.000 2.500E+03 REV/ 6.029E+03 2.400 9.632E+03 / C2H4+CH3<=>C2H3+CH4 6.620E+00 3.700 9.500E+03 REV/ 1.908E+00 3.760 3.280E+03 / C2H4 + O2<=>C2H3+HO2 4.000E+13 0.000 5.820E+04 REV/ 2.0E+10 0.158 -4.249E+03 / ! WJP: KR FROM THERMO TOO HIGH AT 300K. LOWERED TO 3.E13 FROM HTTP://KINETICS.NIST.GOV/KINETICS/DETAIL?ID=1986TSA/HAM1087:195 !REV/ 6.626E+10 0.158 -4.249E+03 / C2H4+CH3O<=>C2H3+CH3OH 1.200E+11 0.000 6.750E+03 !REV/ 8.138E+08 0.293 -7.830E+02 / !C2H4+CH3O2<=>C2H3+CH3O2H 2.230E+12 0.000 1.719E+04 !REV/ 7.929E+12 -0.634 -8.167E+03 / ! C2H3+CH3O2H=C2H4+CH3O2 2.017E+01 3.18 1.734E+03 !WJP ANALOGOUS TO C2H5+CH3O2H C2H4+CH3O2<=>C2H3+CH3O2H 8.59 3.754 27132.0 !WJP: FROM REVERSE RATE ABOVE AND THERMO C2H4+C2H5O2<=>C2H3+C2H5O2H 8.59 3.754 27132.0 !WJP: ANALOGOUS TO C2H4+CH3O2 !C2H4+C2H5O2<=>C2H3+C2H5O2H 2.230E+12 0.000 1.719E+04 !REV/ 7.943E+12 -0.634 -8.163E+03 / !C2H4+CH3CO3<=>C2H3+CH3CO3H 1.130E+13 0.000 3.043E+04 C2H4+CH3CO3<=>C2H3+CH3CO3H 8.59 3.754 27132.0 !WJP: ANALOGOUS TO C2H4+CH3O2 !REV/ 3.295E+12 -0.136 9.440E+03 / C2H4+CH3O2<=>C2H4O1-2+CH3O 2.820E+12 0.000 1.711E+04 REV/ 3.385E+13 -0.065 4.166E+04 / C2H4+C2H5O2<=>C2H4O1-2+C2H5O 2.820E+12 0.000 1.711E+04 REV/ 7.638E+15 -0.916 4.283E+04 / C2H4+HO2<=>C2H4O1-2 + OH 2.230E+12 0.000 1.719E+04 REV/ 4.280E+14 -0.364 3.750E+04 / CH+CH4<=>C2H4+H 6.000E+13 0.000 0.000E+00 REV/ 3.573E+14 0.000 5.548E+04 / CH2(S)+CH3<=>C2H4+H 2.000E+13 0.000 0.000E+00 REV/ 6.128E+19 -1.223 7.305E+04 / C2H2+H(+M)<=>C2H3(+M) 5.600E+12 0.000 2.400E+03 !REV/ 2.289E+12 0.023 3.672E+04 / LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 / TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H3 + O2<=>C2H2+HO2 2.120E-06 6.000 9.484E+03 REV/ 1.087E-05 5.905 2.403E+04 / C2H3 + O2<=>CH2O+HCO 8.500E+28 -5.312 6.500E+03 REV/ 3.994E+27 -4.883 9.345E+04 / C2H3 + O2<=>CH2CHO+O 5.500E+14 -0.611 5.260E+03 REV/ 3.000E+18 -1.386 1.630E+04 / CH3+C2H3<=>CH4+C2H2 3.920E+11 0.000 0.000E+00 REV/ 3.497E+14 -0.193 7.078E+04 / C2H3+H<=>C2H2+H2 9.640E+13 0.000 0.000E+00 REV/ 9.427E+13 0.253 6.924E+04 / C2H3 + OH<=>C2H2+H2O 5.000E+12 0.000 0.000E+00 REV/ 5.184E+13 0.147 8.413E+04 / C2H+H(+M)<=>C2H2(+M) 1.000E+17 0.000 0.000E+00 !REV/ 3.157E+20 -0.539 1.329E+05 / LOW / 3.7500E+33 -4.8000E+00 1.9000E+03 / TROE / 6.4600E-01 1.3200E+02 1.3150E+03 5.5660E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C2H2 + O2<=>HCCO + OH 2.000E+08 1.500 3.010E+04 REV/ 2.039E+06 1.541 3.227E+04 / O+C2H2<=>C2H + OH 4.600E+19 -1.400 2.895E+04 REV/ 9.E13 0.0 0.0 / !WJP CORRECT REVERSE RATE. IT IS 20 TIMES COLLISIONAL AT 300K !REV/ 3.023E+15 -0.604 -1.782E+03 / C2H2+O<=>CH2+CO 6.940E+06 2.000 1.900E+03 REV/ 4.050E+01 3.198 4.836E+04 / C2H2+O<=>HCCO+H 1.350E+07 2.000 1.900E+03 REV/ 4.755E+07 1.650 2.080E+04 / C2H2 + OH<=>C2H+H2O 3.370E+07 2.000 1.400E+04 REV/ 4.524E+04 2.709 -4.280E+02 / C2H2 + OH<=>CH2CO+H 3.236E+13 0.000 1.200E+04 REV/ 3.061E+17 -0.802 3.579E+04 / C2H2 + OH<=>CH3+CO 4.830E-04 4.000 -2.000E+03 REV/ 3.495E-06 4.638 5.212E+04 / OH+C2H2<=>H+HCCOH 5.040E+05 2.300 1.350E+04 REV/ 3.852E+09 1.436 4.382E+03 / H+HCCOH<=>H+CH2CO 1.000E+13 0.000 0.000E+00 REV/ 9.299E+13 -0.290 3.111E+04 / C2H5OH(+M)<=>CH2OH+CH3(+M) 2.000E+23 -1.680 9.640E+04 !REV/ 8.383E+14 -0.218 7.018E+03 / LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M)<=>C2H5 + OH(+M) 2.400E+23 -1.620 9.954E+04 !REV/ 8.998E+15 -0.240 4.653E+03 / LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / !TROE FALL-OFF REACTION H2/2/ H2O/5/ CO/2/ CO2/3/ C2H5OH(+M)<=>C2H4+H2O(+M) 1.320E+05 2.520 6.066E+04 !REV/ 1.165E-02 4.190 4.874E+04 / LOW / 3.0900E+55 -1.0920E+01 6.2644E+04 / TROE / 8.9700E-01 1.0000E+10 1.0000E+00 5.0000E+09 / !TROE FALL-OFF REACTION H2O/5/ C2H5OH(+M)<=>CH3CHO+H2(+M) 7.240E+11 0.095 9.101E+04 !REV/ 4.912E+07 0.994 7.496E+04 / LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / !TROE FALL-OFF REACTION H2O/5/ C2H5OH + O2<=>PC2H4OH+HO2 2.000E+13 0.000 5.280E+04 REV/ 2.192E+10 0.278 4.430E+02 / C2H5OH + O2<=>SC2H4OH+HO2 1.500E+13 0.000 5.015E+04 REV/ 1.946E+11 0.089 4.879E+03 / C2H5OH + OH<=>PC2H4OH+H2O 1.810E+11 0.400 7.170E+02 REV/ 4.012E+08 0.920 1.794E+04 / C2H5OH + OH<=>SC2H4OH+H2O 5.560E+10 0.500 -3.800E+02 REV/ 1.458E+09 0.831 2.393E+04 / C2H5OH + OH<=>C2H5O+H2O 1.500E+10 0.800 2.534E+03 REV/ 7.320E+09 0.906 1.721E+04 / C2H5OH+H<=>PC2H4OH+H2 1.880E+03 3.200 7.150E+03 REV/ 3.930E-01 3.826 9.484E+03 / C2H5OH+H<=>SC2H4OH+H2 1.790E+05 2.530 3.420E+03 REV/ 4.429E+02 2.967 1.284E+04 / C2H5OH+H<=>C2H5O+H2 5.360E+04 2.530 4.405E+03 REV/ 2.467E+03 2.742 4.188E+03 / C2H5OH+HO2<=>PC2H4OH+H2O2 2.379E+04 2.550 1.649E+04 REV/ 2.877E+03 2.481 2.827E+03 / C2H5OH+HO2<=>SC2H4OH+H2O2 6.000E+12 0.000 1.600E+04 REV/ 8.589E+12 -0.258 9.419E+03 / C2H5OH+HO2<=>C2H5O+H2O2 2.500E+12 0.000 2.400E+04 REV/ 6.658E+13 -0.483 7.782E+03 / C2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.230E+04 2.550 1.575E+04 REV/ 2.894E+04 2.036 4.880E+02 / C2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.200E+03 2.550 1.075E+04 REV/ 2.284E+05 1.847 2.574E+03 / C2H5OH+CH3O2<=>C2H5O+CH3O2H 2.500E+12 0.000 2.400E+04 REV/ 1.295E+15 -0.927 6.187E+03 / C2H5OH+O<=>PC2H4OH + OH 9.690E+02 3.230 4.658E+03 REV/ 1.052E-01 3.837 5.580E+03 / C2H5OH+O<=>SC2H4OH + OH 1.450E+05 2.470 8.760E+02 REV/ 1.862E+02 2.888 8.884E+03 / C2H5OH+O<=>C2H5O + OH 1.460E-03 4.730 1.727E+03 REV/ 3.488E-05 4.924 9.800E+01 / C2H5OH+CH3<=>PC2H4OH+CH4 3.300E+02 3.300 1.229E+04 REV/ 6.294E+01 3.480 1.616E+04 / C2H5OH+CH3<=>SC2H4OH+CH4 1.993E+01 3.370 7.634E+03 REV/ 4.498E+01 3.361 1.859E+04 / C2H5OH+CH3<=>C2H5O+CH4 2.035E+00 3.570 7.721E+03 REV/ 8.545E+01 3.336 9.044E+03 / C2H5OH+C2H5<=>PC2H4OH+C2H6 5.000E+10 0.000 1.340E+04 REV/ 6.995E+10 0.000 2.699E+04 / C2H5OH+C2H5<=>SC2H4OH+C2H6 5.000E+10 0.000 1.040E+04 REV/ 6.995E+10 0.000 2.399E+00 / PC2H4OH<=>C2H4 + OH 1.047E+25 -3.990 3.039E+04 REV/ 4.170E+20 -2.840 1.240E+03 / SC2H4OH+M<=>CH3CHO+H+M 1.000E+14 0.000 2.500E+04 REV/ 2.742E+12 0.462 -4.700E+02 / O2C2H4OH<=>PC2H4OH + O2 3.900E+16 -1.000 3.000E+04 REV/ 1.200E+11 0.000 -1.100E+03 / O2C2H4OH<=>OH+CH2O+CH2O 3.125E+09 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / SC2H4OH + O2<=>CH3CHO+HO2 3.810E+06 2.000 1.641E+03 REV/ 2.190E+05 2.390 2.504E+04 / CH3COCH3(+M)<=>CH3CO+CH3(+M) 7.108E+21 -1.570 8.468E+04 !REV/ 1.000E+13 0.000 3.000E+00 / LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 / TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 / !TROE FALL-OFF REACTION CH3COCH3 + OH<=>CH3COCH2+H2O 1.250E+05 2.483 4.450E+02 REV/ 8.620E+04 2.322 2.471E+04 / CH3COCH3+H<=>CH3COCH2+H2 9.800E+05 2.430 5.160E+03 REV/ 6.374E+04 2.375 1.453E+04 / CH3COCH3+O<=>CH3COCH2 + OH 5.130E+11 0.211 4.890E+03 REV/ 1.732E+10 0.137 1.285E+04 / CH3COCH3+CH3<=>CH3COCH2+CH4 3.960E+11 0.000 9.784E+03 REV/ 2.350E+13 -0.501 2.069E+04 / CH3COCH3+CH3O<=>CH3COCH2+CH3OH 4.340E+11 0.000 6.460E+03 REV/ 6.060E+11 -0.268 1.606E+04 / CH3COCH3 + O2<=>CH3COCH2+HO2 6.030E+13 0.000 4.850E+04 REV/ 2.057E+13 -0.403 3.181E+03 / CH3COCH3+HO2<=>CH3COCH2+H2O2 1.700E+13 0.000 2.046E+04 REV/ 6.397E+14 -0.750 1.383E+04 / CH3COCH3+CH3O2<=>CH3COCH2+CH3O2H 1.700E+13 0.000 2.046E+04 REV/ 1.245E+16 -1.195 1.223E+04 / CH3COCH2<=>CH2CO+CH3 1.000E+14 0.000 3.100E+04 REV/ 1.000E+11 0.000 6.000E+03 / CH3COCH2O2<=>CH3COCH2 + O2 2.021E+15 -0.956 2.446E+04 REV/ 1.200E+11 0.000 -1.100E+03 / CH3COCH3+CH3COCH2O2<=>CH3COCH2+CH3COCH2O2H 1.000E+11 0.000 5.000E+03 REV/ 1.995E+10 0.000 1.000E+04 / CH2O+CH3COCH2O2<=>HCO+CH3COCH2O2H 1.288E+11 0.000 9.000E+03 REV/ 2.512E+10 0.000 1.010E+04 / HO2+CH3COCH2O2<=>CH3COCH2O2H + O2 1.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH3COCH2O2H<=>CH3COCH2O + OH 1.000E+16 0.000 4.300E+04 !REV/ 4.242E+08 1.740 -4.342E+03 / REV/ 1.0E15 -0.8 0.0 / ! WJP: EST. (KR FROM THERMO ABOVE COLLISIONAL.) CH3COCH2O<=>CH3CO+CH2O 3.732E+20 -2.176 1.726E+04 REV/ 1.000E+11 0.000 1.190E+04 / C2H3CHO<=>C2H3+HCO 2.003E+24 -2.135 1.034E+05 REV/ 1.810E+13 0.000 0.000E+00 / C2H3CHO+H<=>C2H3CO+H2 1.340E+13 0.000 3.300E+03 REV/ 3.311E+10 0.613 2.268E+04 / C2H3CHO+O<=>C2H3CO + OH 5.940E+12 0.000 1.868E+03 REV/ 7.618E+09 0.594 1.984E+04 / C2H3CHO + OH<=>C2H3CO+H2O 9.240E+06 1.500 -9.620E+02 REV/ 2.420E+05 2.007 3.331E+04 / C2H3CHO + O2<=>C2H3CO+HO2 1.005E+13 0.000 4.070E+04 REV/ 1.302E+11 0.265 5.391E+03 / C2H3CHO+HO2<=>C2H3CO+H2O2 3.010E+12 0.000 1.192E+04 REV/ 4.303E+12 -0.082 1.530E+04 / C2H3CHO+CH3<=>C2H3CO+CH4 2.608E+06 1.780 5.911E+03 REV/ 5.878E+06 1.947 2.683E+04 / C2H3CHO+C2H3<=>C2H3CO+C2H4 1.740E+12 0.000 8.440E+03 REV/ 1.000E+13 0.000 2.800E+04 / C2H3CHO+CH3O<=>C2H3CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 5.304E+10 0.401 2.291E+04 / C2H3CHO+CH3O2<=>C2H3CO+CH3O2H 3.010E+12 0.000 1.192E+04 REV/ 8.371E+13 -0.527 1.371E+04 / C2H3CO<=>C2H3+CO 1.370E+21 -2.179 3.941E+04 REV/ 1.510E+11 0.000 4.810E+03 / C2H5CHO<=>C2H5+HCO 1.496E+27 -3.205 8.704E+04 REV/ 1.810E+13 0.000 0.000E+00 / C2H5CHO+H<=>C2H5CO+H2 4.000E+13 0.000 4.200E+03 REV/ 2.377E+10 0.654 1.813E+04 / C2H5CHO+O<=>C2H5CO + OH 5.000E+12 0.000 1.790E+03 REV/ 1.542E+09 0.636 1.431E+04 / C2H5CHO + OH<=>C2H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 1.695E+08 1.308 2.848E+04 / C2H5CHO+CH3<=>C2H5CO+CH4 2.608E+06 1.780 5.911E+03 REV/ 1.414E+06 1.988 2.138E+04 / C2H5CHO+HO2<=>C2H5CO+H2O2 2.800E+12 0.000 1.360E+04 REV/ 9.626E+11 -0.041 1.153E+04 / C2H5CHO+CH3O<=>C2H5CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 1.276E+10 0.442 1.746E+04 / C2H5CHO+CH3O2<=>C2H5CO+CH3O2H 3.010E+12 0.000 1.192E+04 REV/ 2.013E+13 -0.485 8.260E+03 / C2H5CHO+C2H5<=>C2H5CO+C2H6 1.000E+12 0.000 8.000E+03 REV/ 6.432E+12 -0.028 1.970E+04 / C2H5CHO+C2H5O<=>C2H5CO+C2H5OH 6.026E+11 0.000 3.300E+03 REV/ 3.020E+11 0.000 1.816E+04 / C2H5CHO+C2H5O2<=>C2H5CO+C2H5O2H 3.010E+12 0.000 1.192E+04 REV/ 2.017E+13 -0.486 8.264E+03 / C2H5CHO + O2<=>C2H5CO+HO2 1.005E+13 0.000 4.070E+04 REV/ 3.131E+10 0.306 -5.800E+01 / C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H 3.010E+12 0.000 1.192E+04 REV/ 1.651E+12 0.012 1.263E+04 / C2H5CHO+C2H3<=>C2H5CO+C2H4 1.700E+12 0.000 8.440E+03 REV/ 3.198E+12 0.148 3.013E+04 / C2H5CO<=>C2H5+CO 2.460E+23 -3.208 1.755E+04 REV/ 1.510E+11 0.000 4.810E+03 / CH3OCH3(+M)<=>CH3+CH3O(+M) 7.250E+21 -0.940 8.025E+04 !REV/ 2.239E+13 0.617 -2.877E+03 / LOW / 3.5000E+60 -1.1560E+01 1.0100E+05 / TROE / 1.8300E-01 1.3000E+00 1.3000E+04 6.7100E+09 / !TROE FALL-OFF REACTION CH3OCH3 + OH<=>CH3OCH2+H2O 6.324E+06 2.000 -6.517E+02 REV/ 7.853E+04 2.236 2.121E+04 / CH3OCH3+H<=>CH3OCH2+H2 7.721E+06 2.090 3.384E+03 REV/ 9.042E+03 2.432 1.036E+04 / CH3OCH3+O<=>CH3OCH2 + OH 7.750E+08 1.360 2.250E+03 REV/ 4.712E+05 1.683 7.810E+03 / CH3OCH3+HO2<=>CH3OCH2+H2O2 1.680E+13 0.000 1.769E+04 REV/ 1.138E+13 -0.353 8.657E+03 / CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H 1.680E+13 0.000 1.769E+04 REV/ 2.215E+14 -0.798 7.062E+03 / CH3OCH3+CH3<=>CH3OCH2+CH4 1.445E-06 5.730 5.700E+03 REV/ 1.544E-06 5.626 1.421E+04 / CH3OCH3 + O2<=>CH3OCH2+HO2 4.100E+13 0.000 4.491E+04 REV/ 2.518E+11 -0.006 -2.806E+03 / CH3OCH3+CH3O<=>CH3OCH2+CH3OH 6.020E+11 0.000 4.074E+03 REV/ 7.383E+10 -0.270 1.026E+04 / CH3OCH3+CH3OCH2O2<=>CH3OCH2+CH3OCH2O2H 5.000E+12 0.000 1.769E+04 REV/ 6.428E+13 -0.794 7.258E+03 / CH3OCH3 + O2CHO<=>CH3OCH2+HO2CHO 4.425E+04 2.600 1.391E+04 REV/ 1.723E+06 1.746 5.832E+03 / CH3OCH3+OCHO<=>CH3OCH2+HOCHO 1.000E+13 0.000 1.769E+04 REV/ 7.195E+12 -0.314 3.313E+04 / CH3OCH2<=>CH2O+CH3 1.600E+13 0.000 2.550E+04 REV/ 2.601E+05 1.879 1.667E+04 / CH3OCH2+CH3O<=>CH3OCH3+CH2O 2.410E+13 0.000 0.000E+00 REV/ 1.250E+14 0.320 7.854E+04 / CH3OCH2+CH2O<=>CH3OCH3+HCO 5.490E+03 2.800 5.862E+03 REV/ 2.768E+04 2.745 1.408E+04 / CH3OCH2+CH3CHO<=>CH3OCH3+CH3CO 1.260E+12 0.000 8.499E+03 REV/ 7.746E+11 0.280 1.698E+04 / CH3OCH2O2<=>CH3OCH2 + O2 4.439E+19 -1.594 3.624E+04 REV/ 2.000E+12 0.000 0.000E+00 / CH3OCH2O2+CH2O<=>CH3OCH2O2H+HCO 1.000E+12 0.000 1.166E+04 REV/ 6.482E+13 -0.849 9.455E+03 / CH3OCH2O2+CH3CHO<=>CH3OCH2O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / CH3OCH2O2+CH3OCH2O2<=>O2+CH3OCH2O+CH3OCH2O 2.210E+23 -4.500 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH3OCH2O2H<=>CH3OCH2O + OH 2.106E+22 -2.124 4.383E+04 REV/ 2.000E+13 0.000 0.000E+00 / CH3OCH2O<=>CH3O+CH2O 4.384E+19 -2.014 2.519E+04 REV/ 1.000E+11 0.000 1.190E+04 / CH3OCH2O + O2<=>CH3OCHO+HO2 5.000E+10 0.000 5.000E+02 REV/ 1.086E+10 -0.020 4.648E+04 / CH3OCH2O<=>CH3OCHO+H 6.060E+12 0.056 8.218E+03 REV/ 1.000E+13 0.000 7.838E+03 / CH3OCH2O2<=>CH2OCH2O2H 6.000E+10 0.000 2.158E+04 REV/ 1.248E+12 -0.765 1.112E+04 / CH2OCH2O2H<=>OH+CH2O+CH2O 1.500E+13 0.000 2.076E+04 REV/ 0.000E+00 0.000 0.000E+00 / O2CH2OCH2O2H<=>CH2OCH2O2H + O2 1.924E+19 -1.622 3.627E+04 REV/ 7.000E+11 0.000 0.000E+00 / O2CH2OCH2O2H<=>HO2CH2OCHO + OH 4.000E+10 0.000 1.858E+04 REV/ 5.041E+03 1.416 5.964E+04 / HO2CH2OCHO<=>OCH2OCHO + OH 2.000E+16 0.000 4.050E+04 REV/ 1.0E15 -0.8 0.0 / ! WJP: EST. (KR FROM THERMO ABOVE COLLISIONAL.) !REV/ 1.183E+08 1.934 -3.952E+03 / OCH2OCHO<=>CH2O+OCHO 2.898E+19 -2.201 3.185E+04 REV/ 1.250E+11 0.000 1.190E+04 / OCH2OCHO<=>HOCH2OCO 1.000E+11 0.000 1.400E+04 REV/ 1.568E+09 0.487 2.067E+04 / HOCH2OCO<=>HOCH2O+CO 2.238E+19 -2.021 1.969E+04 REV/ 1.500E+11 0.000 4.800E+03 / HOCH2OCO<=>CH2OH+CO2 2.413E+17 -1.574 2.212E+04 REV/ 1.500E+11 0.000 3.572E+04 / CH3OCHO<=>CH2OCHO+H 8.241E+19 -1.150 1.025E+05 REV/ 1.000E+14 0.000 0.000E+00 / CH3OCHO<=>CH3OCO+H 1.325E+19 -1.000 1.001E+05 REV/ 1.000E+14 0.000 0.000E+00 / CH3OCHO(+M)<=>CH3OH+CO(+M) 1.000E+14 0.000 6.250E+04 !REV/ 1.321E+03 2.525 4.968E+04 / LOW / 6.1430E+60 -1.2070E+01 7.5400E+04 / TROE / 7.8000E-01 8.2800E+09 4.3890E+02 6.7000E+08 / !TROE FALL-OFF REACTION CH3OCHO<=>CH3O+HCO 5.374E+16 -0.010 9.709E+04 !REV/ 3.000E+13 0.000 0.000E+00 / REV/ 2.0E12 0.0 -1000.0 /!WJP: ESTIMATE. KR FROM THERMO ABOVE COLLISIONAL CH3OCHO<=>CH3+OCHO 3.214E+17 -0.530 7.997E+04 REV/ 1.000E+13 0.000 0.000E+00 / CH3OCHO + O2<=>CH3OCO+HO2 1.000E+13 0.000 4.970E+04 REV/ 2.979E+10 0.329 9.998E-01 / CH3OCHO + O2<=>CH2OCHO+HO2 2.050E+13 0.000 5.200E+04 REV/ 2.143E+10 0.356 3.310E+02 / CH3OCHO + OH<=>CH3OCO+H2O 1.580E+07 1.800 9.340E+02 REV/ 9.519E+04 2.371 2.082E+04 / CH3OCHO + OH<=>CH2OCHO+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.114E+07 1.568 1.950E+04 / CH3OCHO+HO2<=>CH3OCO+H2O2 4.820E+03 2.600 1.391E+04 REV/ 1.585E+03 2.581 2.899E+03 / CH3OCHO+HO2<=>CH2OCHO+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.746E+03 2.558 3.513E+03 / CH3OCHO+O<=>CH3OCO + OH 2.755E+05 2.450 2.830E+03 REV/ 8.126E+01 3.108 6.408E+03 / CH3OCHO+O<=>CH2OCHO + OH 9.800E+05 2.430 4.750E+03 REV/ 1.014E+02 3.115 6.358E+03 / CH3OCHO+H<=>CH3OCO+H2 6.500E+05 2.400 4.471E+03 REV/ 3.693E+02 3.076 9.461E+03 / CH3OCHO+H<=>CH2OCHO+H2 6.650E+05 2.540 6.756E+03 REV/ 1.326E+02 3.243 9.776E+03 / CH3OCHO+CH3<=>CH3OCO+CH4 7.550E-01 3.460 5.481E+03 REV/ 3.914E-01 3.691 1.201E+04 / CH3OCHO+CH3<=>CH2OCHO+CH4 4.520E-01 3.650 7.154E+03 REV/ 8.222E-02 3.908 1.171E+04 / CH3OCHO+CH3O<=>CH3OCO+CH3OH 5.480E+11 0.000 5.000E+03 REV/ 6.685E+09 0.464 1.022E+04 / CH3OCHO+CH3O<=>CH2OCHO+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 9.289E+08 0.491 9.705E+03 / CH3OCHO+CH3O2<=>CH3OCO+CH3O2H 4.820E+03 2.600 1.391E+04 REV/ 3.083E+04 2.137 1.304E+03 / CH3OCHO+CH3O2<=>CH2OCHO+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 5.342E+04 2.114 1.918E+03 / CH3OCHO+HCO<=>CH3OCO+CH2O 5.400E+06 1.900 1.701E+04 REV/ 5.196E+05 2.290 6.806E+03 / CH3OCHO+HCO<=>CH2OCHO+CH2O 1.025E+05 2.500 1.843E+04 REV/ 3.461E+03 2.917 6.261E+03 / CH2OCHO<=>CH3OCO 2.620E+11 -0.030 3.818E+04 REV/ 1.629E+12 -0.180 4.067E+04 / CH3OCO<=>CH3+CO2 3.590E+14 -0.172 1.601E+04 REV/ 4.760E+07 1.540 3.470E+04 / CH3OCO<=>CH3O+CO 1.431E+15 -0.041 2.377E+04 REV/ 1.550E+06 2.020 5.730E+03 / CH2OCHO<=>CH2O+HCO 4.661E+12 0.120 2.744E+04 REV/ 1.500E+11 0.000 1.190E+04 / C3H8(+M)<=>CH3+C2H5(+M) 1.290E+37 -5.840 9.738E+04 !REV/ 1.179E+27 -3.993 7.323E+03 / LOW / 5.6400E+74 -1.5740E+01 9.8714E+04 / TROE / 3.1000E-01 5.0000E+01 3.0000E+03 9.0000E+03 / !TROE FALL-OFF REACTION H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/ C3H8<=>NC3H7+H 3.750E+17 -0.357 1.012E+05 REV/ 1.000E+14 0.000 0.000E+00 / C3H8<=>IC3H7+H 2.377E+18 -0.671 9.868E+04 REV/ 1.000E+14 0.000 0.000E+00 / C3H8 + O2<=>IC3H7+HO2 2.000E+13 0.000 4.964E+04 REV/ 1.764E+09 0.599 -1.690E+02 / C3H8 + O2<=>NC3H7+HO2 6.000E+13 0.000 5.229E+04 REV/ 3.354E+10 0.285 -5.900E+01 / H+C3H8<=>H2+IC3H7 1.170E+07 2.400 4.471E+03 REV/ 2.186E+01 3.347 9.351E+03 / H+C3H8<=>H2+NC3H7 1.330E+06 2.540 6.756E+03 REV/ 1.418E+02 3.173 9.096E+03 / C3H8+O<=>IC3H7 + OH 5.490E+05 2.500 3.140E+03 REV/ 4.793E+00 3.428 6.608E+03 / C3H8+O<=>NC3H7 + OH 3.710E+06 2.400 5.505E+03 REV/ 2.053E+02 3.014 6.433E+03 / C3H8 + OH<=>NC3H7+H2O 1.054E+10 0.970 1.586E+03 REV/ 1.191E+07 1.497 1.882E+04 / C3H8 + OH<=>IC3H7+H2O 4.670E+07 1.610 -3.500E+01 REV/ 8.327E+03 2.451 1.974E+04 / C3H8+HO2<=>IC3H7+H2O2 5.880E+04 2.500 1.486E+04 REV/ 5.721E+02 2.752 3.742E+03 / C3H8+HO2<=>NC3H7+H2O2 8.100E+04 2.500 1.669E+04 REV/ 4.995E+03 2.438 3.030E+03 / CH3+C3H8<=>CH4+IC3H7 6.400E+04 2.170 7.520E+03 REV/ 9.819E+02 2.671 1.394E+04 / CH3+C3H8<=>CH4+NC3H7 9.040E-01 3.650 7.154E+03 REV/ 8.791E-02 3.837 1.103E+04 / IC3H7+C3H8<=>NC3H7+C3H8 3.000E+10 0.000 1.290E+04 REV/ 3.000E+10 0.000 1.290E+04 / C2H3+C3H8<=>C2H4+IC3H7 1.000E+11 0.000 1.040E+04 REV/ 1.310E+11 0.000 1.780E+04 / C2H3+C3H8<=>C2H4+NC3H7 1.000E+11 0.000 1.040E+04 REV/ 1.310E+11 0.000 1.780E+04 / C2H5+C3H8<=>C2H6+IC3H7 1.000E+11 0.000 1.040E+04 REV/ 3.630E+10 0.000 9.934E+03 / C2H5+C3H8<=>C2H6+NC3H7 1.000E+11 0.000 1.040E+04 REV/ 3.630E+10 0.000 9.934E+03 / C3H8+C3H5-A<=>NC3H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.372E+16 -1.330 1.340E+04 / C3H8+C3H5-A<=>IC3H7+C3H6 7.940E+11 0.000 1.620E+04 REV/ 5.372E+16 -1.330 9.095E+03 / C3H8+CH3O<=>NC3H7+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 9.182E+03 / C3H8+CH3O<=>IC3H7+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 9.182E+03 / CH3O2+C3H8<=>CH3O2H+NC3H7 8.100E+04 2.500 1.669E+04 REV/ 9.718E+04 1.993 1.435E+03 / CH3O2+C3H8<=>CH3O2H+IC3H7 5.880E+04 2.500 1.486E+04 REV/ 1.113E+04 2.307 2.147E+03 / C2H5O2+C3H8<=>C2H5O2H+NC3H7 8.100E+04 2.500 1.669E+04 REV/ 9.735E+04 1.993 1.439E+03 / C2H5O2+C3H8<=>C2H5O2H+IC3H7 5.880E+04 2.500 1.486E+04 REV/ 1.115E+04 2.307 2.151E+03 / NC3H7O2+C3H8<=>NC3H7O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 2.086E+13 -0.510 5.000E+03 / NC3H7O2+C3H8<=>NC3H7O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 3.871E+11 -0.196 4.080E+03 / IC3H7O2+C3H8<=>IC3H7O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 2.093E+13 -0.511 5.000E+03 / IC3H7O2+C3H8<=>IC3H7O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 3.885E+11 -0.197 4.080E+03 / C3H8+CH3CO3<=>IC3H7+CH3CO3H 2.000E+12 0.000 1.700E+04 REV/ 3.104E+10 0.305 8.650E+03 / C3H8+CH3CO3<=>NC3H7+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 1.673E+12 -0.009 9.570E+03 / C3H8 + O2CHO<=>NC3H7+HO2CHO 5.520E+04 2.550 1.648E+04 REV/ 1.187E-08 5.540 -1.920E+03 / C3H8 + O2CHO<=>IC3H7+HO2CHO 1.475E+04 2.600 1.391E+04 REV/ 7.838E-06 4.650 -3.000E+01 / IC3H7<=>H+C3H6 6.919E+13 -0.025 3.769E+04 REV/ 2.640E+13 0.000 2.160E+03 / IC3H7+H<=>C2H5+CH3 2.000E+13 0.000 0.000E+00 REV/ 4.344E+07 1.176 8.620E+03 / IC3H7 + O2<=>C3H6+HO2 4.500E-19 0.000 5.020E+03 REV/ 2.000E-19 0.000 1.750E+04 / IC3H7 + OH<=>C3H6+H2O 2.410E+13 0.000 0.000E+00 REV/ 2.985E+12 0.570 8.382E+04 / IC3H7+O<=>CH3COCH3+H 4.818E+13 0.000 0.000E+00 REV/ 1.293E+16 -0.190 7.938E+04 / IC3H7+O<=>CH3CHO+CH3 4.818E+13 0.000 0.000E+00 REV/ 1.279E+11 0.800 8.648E+04 / !NC3H7<=>CH3+C2H4 9.970E+40 -8.600 4.143E+04 !REV/ 1.898E+34 -6.990 1.710E+04 / !NC3H7<=>H+C3H6 8.780E+39 -8.100 4.658E+04 !REV/ 2.070E+37 -7.390 1.202E+04 / ! ! CHECKED ON NIST 2006CUR250-275 ! NC3H7<=>CH3+C2H4 9.24E10 0.87 3.05E04 NC3H7<=>H+C3H6 4.14E12 0.17 3.56E04 ! NC3H7 + O2<=>C3H6+HO2 3.000E-19 0.000 3.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / C2H5CHO+NC3H7<=>C2H5CO+C3H8 1.700E+12 0.000 8.440E+03 REV/ 1.900E+14 0.000 1.879E+04 / C2H5CHO+IC3H7<=>C2H5CO+C3H8 1.700E+12 0.000 8.440E+03 REV/ 1.900E+14 0.000 1.879E+04 / C2H5CHO+C3H5-A<=>C2H5CO+C3H6 1.700E+12 0.000 8.440E+03 REV/ 1.000E+13 0.000 2.800E+04 / C3H6<=>C2H3+CH3 2.730E+62 -13.280 1.232E+05 REV/ 6.822E+53 -11.779 2.055E+04 / C3H6<=>C3H5-A+H 2.010E+61 -13.260 1.185E+05 REV/ 2.041E+61 -13.520 3.061E+04 / C3H6<=>C3H5-S+H 7.710E+69 -16.090 1.400E+05 REV/ 2.551E+67 -15.867 2.869E+04 / C3H6<=>C3H5-T+H 5.620E+71 -16.580 1.393E+05 REV/ 4.260E+68 -16.164 3.008E+04 / C3H6+O<=>C2H5+HCO 1.580E+07 1.760 -1.216E+03 REV/ 9.188E+01 2.725 2.311E+04 / C3H6+O<=>CH2CO+CH3+H 2.500E+07 1.760 7.600E+01 REV/ 0.000E+00 0.000 0.000E+00 / C3H6+O=>CH3CHCO+H+H 2.500E+07 1.760 7.600E+01 ! WJP: KR FROM THERMO ABOVE COLLISIONAL FOR THIS GLOBAL RXN !C3H6+O<=>CH3CHCO+H+H 2.500E+07 1.760 7.600E+01 !REV/ 0.000E+00 0.000 0.000E+00 / C3H6+O<=>C3H5-A + OH 5.240E+11 0.700 5.884E+03 REV/ 1.104E+11 0.697 2.015E+04 / C3H6+O<=>C3H5-S + OH 1.200E+11 0.700 8.959E+03 REV/ 8.239E+07 1.180 -2.070E+02 / C3H6+O<=>C3H5-T + OH 6.030E+10 0.700 7.632E+03 REV/ 9.483E+06 1.373 5.760E+02 / C3H6 + OH<=>C3H5-A+H2O 3.120E+06 2.000 -2.980E+02 REV/ 1.343E+07 1.909 3.027E+04 / C3H6 + OH<=>C3H5-S+H2O 2.110E+06 2.000 2.778E+03 REV/ 2.959E+04 2.393 9.916E+03 / C3H6 + OH<=>C3H5-T+H2O 1.110E+06 2.000 1.451E+03 REV/ 3.565E+03 2.586 1.070E+04 / C3H6+HO2<=>C3H5-A+H2O2 2.700E+04 2.500 1.234E+04 REV/ 6.341E+06 1.820 1.201E+04 / C3H6+HO2<=>C3H5-S+H2O2 1.800E+04 2.500 2.762E+04 REV/ 1.377E+04 2.304 3.864E+03 / C3H6+HO2<=>C3H5-T+H2O2 9.000E+03 2.500 2.359E+04 REV/ 1.577E+03 2.497 1.941E+03 / C3H6+H<=>C3H5-A+H2 1.730E+05 2.500 2.492E+03 REV/ 7.023E+04 2.515 1.817E+04 / C3H6+H<=>C3H5-S+H2 8.040E+05 2.500 1.228E+04 REV/ 1.063E+03 2.999 4.526E+03 / C3H6+H<=>C3H5-T+H2 4.050E+05 2.500 9.794E+03 REV/ 1.227E+02 3.192 4.150E+03 / C3H6+H<=>C2H4+CH3 2.300E+13 0.000 2.547E+03 REV/ 7.272E+07 1.271 1.120E+04 / C3H6 + O2<=>C3H5-A+HO2 4.000E+12 0.000 3.990E+04 REV/ 8.514E+12 -0.333 8.870E+02 / C3H6 + O2<=>C3H5-S+HO2 2.000E+12 0.000 6.290E+04 REV/ 1.387E+10 0.151 4.590E+02 / C3H6 + O2<=>C3H5-T+HO2 1.400E+12 0.000 6.070E+04 REV/ 2.224E+09 0.344 3.690E+02 / C3H6+CH3<=>C3H5-A+CH4 2.210E+00 3.500 5.675E+03 REV/ 8.184E+02 3.070 2.289E+04 / C3H6+CH3<=>C3H5-S+CH4 1.348E+00 3.500 1.285E+04 REV/ 1.626E+00 3.553 6.635E+03 / C3H6+CH3<=>C3H5-T+CH4 8.400E-01 3.500 1.166E+04 REV/ 2.322E-01 3.746 7.552E+03 / C3H6+C2H5<=>C3H5-A+C2H6 1.000E+11 0.000 9.800E+03 REV/ 5.369E+05 1.330 1.644E+04 / C3H6+CH3CO3<=>C3H5-A+CH3CO3H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6+CH3O2<=>C3H5-A+CH3O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6+HO2<=>C3H6O1-2 + OH 1.290E+12 0.000 1.490E+04 REV/ 1.000E-10 0.000 0.000E+00 / C3H6+C2H5O2<=>C3H5-A+C2H5O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6+NC3H7O2<=>C3H5-A+NC3H7O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6+IC3H7O2<=>C3H5-A+IC3H7O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6OH<=>C3H6 + OH 4.343E+15 -0.805 2.790E+04 REV/ 9.930E+11 0.000 -9.600E+02 / HOC3H6O2<=>C3H6OH + O2 2.873E+19 -1.897 3.429E+04 REV/ 1.200E+11 0.000 -1.100E+03 / HOC3H6O2<=>CH3CHO+CH2O + OH 1.250E+10 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H5-A<=>C2H2+CH3 2.397E+48 -9.900 8.208E+04 REV/ 2.610E+46 -9.820 3.695E+04 / C3H5-A<=>C3H4-A+H 4.194E+13 0.216 6.193E+04 REV/ 2.400E+11 0.690 3.007E+03 / C3H5-A+HO2<=>C3H5O + OH 7.000E+12 0.000 -1.000E+03 REV/ 1.605E+12 0.060 1.166E+04 / C3H5-A+CH3O2<=>C3H5O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.990E+15 -0.740 1.702E+04 / C3H5-A+H<=>C3H4-A+H2 1.232E+03 3.035 2.582E+03 REV/ 2.818E+00 3.784 4.722E+04 / C3H5-A+CH3<=>C3H4-A+CH4 1.000E+11 0.000 0.000E+00 REV/ 4.921E+12 0.050 4.778E+04 / C3H5-A+C2H5<=>C2H6+C3H4-A 4.000E+11 0.000 0.000E+00 REV/ 1.802E+12 0.050 4.033E+04 / C3H5-A+C2H5<=>C2H4+C3H6 4.000E+11 0.000 0.000E+00 REV/ 6.937E+16 -1.330 5.280E+04 / C3H5-A+C2H3<=>C2H4+C3H4-A 1.000E+12 0.000 0.000E+00 REV/ 1.624E+13 0.050 4.819E+04 / C3H4-A+C3H6<=>C3H5-A+C3H5-A 4.749E+08 0.734 2.870E+04 REV/ 8.430E+10 0.000 -2.620E+02 / C3H5-A + O2<=>C3H4-A+HO2 2.180E+21 -2.850 3.076E+04 REV/ 2.614E+19 -2.449 2.071E+04 / C3H5-A + O2<=>CH2CHO+CH2O 7.140E+15 -1.210 2.105E+04 REV/ 4.944E+16 -1.400 8.862E+04 / C3H5-A + O2<=>C2H3CHO + OH 2.470E+13 -0.440 2.302E+04 REV/ 1.989E+13 -0.609 7.514E+04 / C3H5-A + O2<=>C2H2+CH2O + OH 9.720E+29 -5.710 2.145E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H5-S<=>C2H2+CH3 9.598E+39 -8.170 4.203E+04 REV/ 1.610E+40 -8.580 2.033E+04 / C3H5-S<=>C3H4-P+H 4.187E+15 -0.790 3.748E+04 REV/ 5.800E+12 0.000 3.100E+03 / C3H5-S + O2<=>CH3CHO+HCO 4.335E+12 0.000 0.000E+00 REV/ 1.611E+17 -1.270 9.653E+04 / C3H5-S+H<=>C3H4-A+H2 3.333E+12 0.000 0.000E+00 REV/ 7.977E+12 0.110 6.886E+04 / C3H5-S+CH3<=>C3H4-A+CH4 1.000E+11 0.000 0.000E+00 REV/ 6.253E+12 0.110 6.934E+04 / C3H5-T<=>C2H2+CH3 2.163E+40 -8.310 4.511E+04 REV/ 1.610E+40 -8.580 2.033E+04 / C3H5-T<=>C3H4-A+H 3.508E+14 -0.440 4.089E+04 REV/ 8.500E+12 0.000 2.000E+03 / C3H5-T<=>C3H4-P+H 1.075E+15 -0.600 3.849E+04 REV/ 6.500E+12 0.000 2.000E+03 / C3H5-T + O2<=>C3H4-A+HO2 1.890E+30 -5.590 1.554E+04 REV/ 3.037E+31 -5.865 2.681E+04 / C3H5-T + O2<=>CH3COCH2+O 3.810E+17 -1.360 5.580E+03 REV/ 2.000E+11 0.000 1.750E+04 / C3H5-T + O2<=>CH2O+CH3CO 3.710E+25 -3.960 7.043E+03 REV/ 1.872E+27 -4.430 1.012E+05 / C3H5-T+H<=>C3H4-P+H2 3.333E+12 0.000 0.000E+00 REV/ 2.138E+16 -0.880 7.105E+04 / C3H5-T+CH3<=>C3H4-P+CH4 1.000E+11 0.000 0.000E+00 REV/ 1.676E+16 -0.880 7.153E+04 / C3H4-A+M<=>C3H3+H+M 1.143E+17 0.000 7.000E+04 !REV/ 1.798E+15 -0.380 1.061E+04 / REV / 2.0E17 0.0 -1000.0 / !WJP: EST. KR FROM THERMO ABOVE COLLISONAL. C3H4-A<=>C3H4-P 1.202E+15 0.000 9.240E+04 REV/ 3.222E+18 -0.990 9.659E+04 / C3H4-A + O2<=>C3H3+HO2 4.000E+13 0.000 3.916E+04 REV/ 3.170E+11 -0.086 3.110E+02 / C3H4-A+HO2<=>CH2CO+CH2 + OH 4.000E+12 0.000 1.900E+04 REV/ 1.000E+00 0.000 0.000E+00 / C3H4-A + OH<=>CH2CO+CH3 3.120E+12 0.000 -3.970E+02 REV/ 1.806E+17 -1.380 3.607E+04 / C3H4-A + OH<=>C3H3+H2O 1.000E+07 2.000 1.000E+03 REV/ 1.602E+05 2.157 3.173E+04 / C3H4-A+O<=>C2H4+CO 7.800E+12 0.000 1.600E+03 REV/ 3.269E+08 1.252 1.219E+05 / C3H4-A+O<=>C2H2+CH2O 3.000E-03 4.610 -4.243E+03 REV/ 2.320E+02 3.230 8.119E+04 / C3H4-A+H<=>C3H3+H2 2.000E+07 2.000 5.000E+03 REV/ 3.022E+04 2.262 2.084E+04 / C3H4-A+CH3<=>C3H3+CH4 3.670E-02 4.010 6.830E+03 REV/ 5.060E-02 3.826 2.421E+04 / C3H4-A+C3H5-A<=>C3H3+C3H6 2.000E+11 0.000 7.700E+03 REV/ 2.644E+19 -2.710 4.214E+04 / C3H4-A+C2H<=>C3H3+C2H2 1.000E+13 0.000 0.000E+00 REV/ 1.420E+16 -1.380 5.382E+04 / C3H4-P+M<=>C3H3+H+M 1.143E+17 0.000 7.000E+04 !REV/ 6.708E+11 0.610 6.420E+03 / REV / 2.0E17 0.0 -1000.0 / !WJP: EST. KR FROM THERMO ABOVE COLLISONAL. C3H4-P<=>C2H+CH3 4.200E+16 0.000 1.000E+05 REV/ 1.018E+12 0.610 -1.600E+03 / C3H4-P + O2<=>HCCO + OH+CH2 1.000E+07 1.500 3.010E+04 REV/ 1.000E+00 0.000 0.000E+00 / C3H4-P + O2<=>C3H3+HO2 2.000E+13 0.000 4.160E+04 REV/ 6.371E+11 -0.208 1.021E+03 / C3H4-P+HO2<=>C2H4+CO + OH 3.000E+12 0.000 1.900E+04 REV/ 1.000E+00 0.000 0.000E+00 / C3H4-P + OH<=>C3H3+H2O 1.000E+07 2.000 1.000E+03 REV/ 6.441E+05 2.034 3.000E+04 / C3H4-P + OH<=>CH2CO+CH3 5.000E-04 4.500 -1.000E+03 REV/ 1.079E-02 4.110 3.128E+04 / C3H4-P+O<=>C2H3+HCO 3.200E+12 0.000 2.010E+03 REV/ 2.548E+12 -0.390 3.235E+04 / C3H4-P+O<=>HCCO+CH3 9.600E+08 1.000 0.000E+00 REV/ 1.430E+04 1.793 2.699E+04 / C3H4-P+O=>HCCO+CH2+H 3.200E-19 0.000 2.010E+03 !REVERSE FROM THERMO IS SEVERELY ABOVE COLLISIONAL !REV/ 1.000E-30 0.000 0.000E+00 / C3H4-P+O<=>C3H3 + OH 7.650E+08 1.500 8.600E+03 REV/ 2.177E+08 1.310 2.247E+04 / C3H4-P+H<=>C3H3+H2 2.000E+07 2.000 5.000E+03 REV/ 1.215E+05 2.140 1.911E+04 / C3H4-P+CH3<=>C3H3+CH4 1.500E+00 3.500 5.600E+03 REV/ 8.313E+00 3.195 2.125E+04 / C3H4-P+C2H<=>C3H3+C2H2 1.000E+12 0.000 0.000E+00 REV/ 5.297E+11 -0.390 4.963E+04 / C3H4-P+C2H3<=>C3H3+C2H4 1.000E+12 0.000 7.700E+03 REV/ 9.541E+11 -0.390 5.245E+04 / C3H4-P+C3H5-A<=>C3H3+C3H6 1.000E+12 0.000 7.700E+03 REV/ 4.931E+16 -1.730 3.795E+04 / C3H3+O<=>CH2O+C2H 1.000E+13 0.000 0.000E+00 REV/ 5.446E+14 0.000 3.161E+04 / C3H3 + OH<=>C3H2+H2O 1.000E+13 0.000 0.000E+00 REV/ 1.343E+15 0.000 1.568E+04 / C3H3 + O2<=>CH2CO+HCO 3.010E+10 0.000 2.870E+03 REV/ 4.881E+11 0.000 5.947E+04 / C3H3+CH3<=>C2H5+C2H 4.299E+15 -0.790 4.563E+04 REV/ 1.810E+13 0.000 0.000E+00 / C3H2 + O2<=>HCO+HCCO 5.000E+13 0.000 0.000E+00 REV/ 2.326E+14 -0.214 7.719E+04 / C3H4-A+HO2<=>C2H4+CO + OH 1.000E+12 0.000 1.400E+04 REV/ 1.000E+00 0.000 0.000E+00 / C3H4-A+HO2<=>C3H3+H2O2 3.000E+13 0.000 1.400E+04 REV/ 1.551E+16 -1.380 4.400E+04 / C2H2+CH3<=>C3H4-P+H 4.229E+08 1.143 1.209E+04 REV/ 1.000E+14 0.000 4.000E+03 / C2H2+CH3<=>C3H4-A+H 6.740E+19 -2.080 3.159E+04 REV/ 6.407E+25 -3.345 2.177E+04 / C3H3+H<=>C3H2+H2 5.000E+13 0.000 0.000E+00 REV/ 5.999E+07 1.365 4.110E+03 / C3H2 + OH<=>C2H2+HCO 5.000E+13 0.000 0.000E+00 REV/ 2.282E+16 -0.254 7.502E+04 / C3H2 + O2<=>HCCO+CO+H 5.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH3CHCO + OH<=>C2H5+CO2 1.730E+12 0.000 -1.010E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH3CHCO + OH<=>SC2H4OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH3CHCO+H<=>C2H5+CO 4.400E+12 0.000 1.459E+03 REV/ 0.000E+00 0.000 0.000E+00 / CH3CHCO+O<=>CH3CHO+CO 3.200E+12 0.000 -4.370E+02 REV/ 0.000E+00 0.000 0.000E+00 / NC3H7+HO2<=>NC3H7O + OH 7.000E+12 0.000 -1.000E+03 REV/ 6.220E+15 -0.692 2.531E+04 / IC3H7+HO2<=>IC3H7O + OH 7.000E+12 0.000 -1.000E+03 REV/ 1.051E+16 -0.557 2.732E+04 / CH3O2+NC3H7<=>CH3O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 3.890E+14 -0.394 2.955E+04 / CH3O2+IC3H7<=>CH3O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 6.573E+14 -0.258 3.156E+04 / NC3H7O2<=>NC3H7 + O2 2.400E+20 -1.616 3.596E+04 REV/ 4.520E+12 0.000 0.000E+00 / IC3H7O2<=>IC3H7 + O2 3.132E+22 -2.167 3.816E+04 REV/ 7.540E+12 0.000 0.000E+00 / NC3H7O2+CH2O<=>NC3H7O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / NC3H7O2+CH3CHO<=>NC3H7O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / IC3H7O2+CH2O<=>IC3H7O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / IC3H7O2+CH3CHO<=>IC3H7O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / NC3H7O2+HO2<=>NC3H7O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.841E+13 -0.795 3.361E+04 / IC3H7O2+HO2<=>IC3H7O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.855E+13 -0.796 3.361E+04 / C2H4+NC3H7O2<=>C2H3+NC3H7O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / C2H4+IC3H7O2<=>C2H3+IC3H7O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / CH3OH+NC3H7O2<=>CH2OH+NC3H7O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / CH3OH+IC3H7O2<=>CH2OH+IC3H7O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / C2H3CHO+NC3H7O2<=>C2H3CO+NC3H7O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / C2H3CHO+IC3H7O2<=>C2H3CO+IC3H7O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / CH4+NC3H7O2<=>CH3+NC3H7O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / CH4+IC3H7O2<=>CH3+IC3H7O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / NC3H7O2+CH3O2<=>NC3H7O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2+CH3O2<=>IC3H7O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / H2+NC3H7O2<=>H+NC3H7O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / H2+IC3H7O2<=>H+IC3H7O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / IC3H7O2+C2H6<=>IC3H7O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / NC3H7O2+C2H6<=>NC3H7O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC3H7O2+C2H5CHO<=>IC3H7O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / NC3H7O2+C2H5CHO<=>NC3H7O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / IC3H7O2+CH3CO3<=>IC3H7O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / NC3H7O2+CH3CO3<=>NC3H7O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2+C2H5O2<=>IC3H7O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / NC3H7O2+C2H5O2<=>NC3H7O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2+IC3H7O2<=>O2+IC3H7O+IC3H7O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / NC3H7O2+NC3H7O2<=>O2+NC3H7O+NC3H7O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2+NC3H7O2<=>IC3H7O+NC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2+CH3<=>IC3H7O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.145E+11 0.695 2.672E+04 / IC3H7O2+C2H5<=>IC3H7O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.628E+13 0.094 2.913E+04 / IC3H7O2+IC3H7<=>IC3H7O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 2.778E+13 0.261 2.980E+04 / IC3H7O2+NC3H7<=>IC3H7O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.644E+13 0.125 2.780E+04 / IC3H7O2+C3H5-A<=>IC3H7O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 4.242E+09 0.877 1.414E+04 / NC3H7O2+CH3<=>NC3H7O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 5.303E+12 0.009 2.692E+04 / NC3H7O2+C2H5<=>NC3H7O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 7.540E+14 -0.592 2.933E+04 / NC3H7O2+IC3H7<=>NC3H7O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.286E+15 -0.425 3.000E+04 / NC3H7O2+NC3H7<=>NC3H7O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 7.612E+14 -0.561 2.800E+04 / NC3H7O2+C3H5-A<=>NC3H7O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.964E+11 0.191 1.434E+04 / NC3H7O2H<=>NC3H7O + OH 1.500E+16 0.000 4.250E+04 REV/ 1.143E+08 1.719 -4.034E+03 / IC3H7O2H<=>IC3H7O + OH 9.450E+15 0.000 4.260E+04 !REV/ 1.550E+06 2.406 -4.132E+03 / REV/ 1.0E15 -0.8 0.0 / ! WJP: EST. (KR FROM THERMO ABOVE COLLISIONAL.) NC3H7O<=>C2H5+CH2O 2.716E+21 -2.449 1.570E+04 REV/ 1.000E+11 0.000 3.496E+03 / NC3H7O<=>C2H5CHO+H 8.899E+10 0.746 1.980E+04 REV/ 4.000E+12 0.000 6.260E+03 / IC3H7O<=>CH3+CH3CHO 5.328E+19 -1.696 1.714E+04 REV/ 1.000E+11 0.000 9.256E+03 / IC3H7O<=>CH3COCH3+H 8.663E+14 -0.483 2.008E+04 REV/ 2.000E+12 0.000 7.270E+03 / IC3H7O + O2<=>CH3COCH3+HO2 9.090E+09 0.000 3.900E+02 REV/ 1.000E+11 0.000 3.200E+04 / NC3H7O2<=>C3H6OOH1-2 6.000E+11 0.000 2.685E+04 REV/ 1.117E+08 0.583 1.172E+04 / NC3H7O2<=>C3H6OOH1-3 1.125E+11 0.000 2.400E+04 REV/ 2.716E+11 -0.507 8.936E+03 / IC3H7O2<=>C3H6OOH2-1 1.800E+12 0.000 2.940E+04 REV/ 1.122E+10 0.119 1.181E+04 / IC3H7O2<=>C3H6OOH2-2 1.230E+35 -6.960 4.888E+04 REV/ 2.384E+34 -7.060 4.494E+04 / C3H6OOH1-2<=>C3H6O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 1.150E+11 0.490 3.837E+04 / C3H6OOH1-3<=>C3H6O1-3 + OH 7.500E+10 0.000 1.525E+04 REV/ 1.186E+06 1.765 2.871E+04 / C3H6OOH2-1<=>C3H6O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 2.780E+08 1.191 3.609E+04 / C3H6OOH1-2<=>C3H6+HO2 7.834E+15 -1.300 1.595E+04 REV/ 1.000E+11 0.000 1.100E+04 / C3H6OOH2-1<=>C3H6+HO2 3.239E+18 -2.000 1.897E+04 REV/ 1.000E+11 0.000 1.175E+04 / C3H6OOH1-3<=>OH+CH2O+C2H4 3.035E+15 -0.790 2.740E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6OOH2-1<=>C2H3OOH+CH3 6.540E+27 -5.140 3.832E+04 REV/ 4.460E+22 -4.240 1.063E+04 / C3H6OOH1-2<=>C2H4+CH2O + OH 1.310E+33 -7.010 4.812E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6OOH2-2<=>CH3COCH3 + OH 9.000E+14 0.000 1.500E+03 REV/ 1.021E+14 0.310 3.675E+04 / C3H6OOH1-2O2<=>C3H6OOH1-2 + O2 2.391E+25 -2.945 4.010E+04 REV/ 5.000E+12 0.000 0.000E+00 / C3H6OOH1-3O2<=>C3H6OOH1-3 + O2 2.853E+20 -1.626 3.569E+04 REV/ 4.520E+12 0.000 0.000E+00 / C3H6OOH2-1O2<=>C3H6OOH2-1 + O2 5.227E+22 -2.244 3.782E+04 REV/ 4.520E+12 0.000 0.000E+00 / C3H6OOH1-2O2<=>C3KET12 + OH 6.000E+11 0.000 2.600E+04 REV/ 9.249E+04 1.329 4.892E+04 / C3H6OOH1-3O2<=>C3KET13 + OH 7.500E+10 0.000 2.100E+04 REV/ 4.101E+03 1.496 4.474E+04 / C3H6OOH2-1O2<=>C3KET21 + OH 3.000E+11 0.000 2.345E+04 REV/ 1.397E+03 1.834 4.975E+04 / C3H6OOH2-1O2<=>C3H51-2,3OOH 1.125E+11 0.000 2.400E+04 REV/ 2.391E+11 -0.499 8.920E+03 / C3H6OOH1-2O2<=>C3H51-2,3OOH 9.000E+11 0.000 2.940E+04 REV/ 1.913E+12 -0.499 1.392E+04 / C3H51-2,3OOH<=>AC3H5OOH+HO2 2.560E+13 -0.490 1.777E+04 REV/ 3.180E+15 -1.160 1.204E+04 / C3H52-1,3OOH<=>C3H6OOH1-3O2 1.255E+12 -0.360 1.394E+04 REV/ 6.000E+11 0.000 2.685E+04 / C3H52-1,3OOH<=>AC3H5OOH+HO2 1.150E+14 -0.630 1.725E+04 REV/ 1.564E+11 0.120 1.020E+04 / C3KET12<=>CH3CHO+HCO + OH 9.450E+15 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3KET13<=>CH2O+CH2CHO + OH 1.000E+16 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3KET21<=>CH2O+CH3CO + OH 1.000E+16 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / AC3H5OOH<=>C3H5O + OH 3.880E+19 -1.460 4.537E+04 REV/ 2.000E+13 0.000 0.000E+00 / C3H5O<=>C2H3CHO+H 1.000E+14 0.000 2.910E+04 REV/ 1.676E+14 -0.156 1.969E+04 / C3H5O<=>C2H3+CH2O 1.464E+20 -1.968 3.509E+04 REV/ 1.500E+11 0.000 1.060E+04 / C3H5O + O2<=>C2H3CHO+HO2 1.000E+12 0.000 6.000E+03 REV/ 1.288E+11 0.000 3.200E+04 / C2H3OOH<=>CH2CHO + OH 8.400E+14 0.000 4.300E+04 REV/ 1.000E+11 0.000 0.000E+00 / C3H6O1-2<=>C2H4+CH2O 6.000E+14 0.000 6.000E+04 REV/ 2.970E+11 1.000 3.108E+04 / C3H6O1-2 + OH<=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-2+H<=>CH2O+C2H3+H2 2.630E+07 2.000 5.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-2+O<=>CH2O+C2H3 + OH 8.430E+13 0.000 5.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-2+HO2=>CH2O+C2H3+H2O2 1.000E+13 0.000 1.500E+04 !REVERSE RATE FROM THERMO ABOVE COLLISIONAL. !REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-2+CH3O2<=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-2+CH3<=>CH2O+C2H3+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3<=>C2H4+CH2O 6.000E+14 0.000 6.000E+04 REV/ 2.970E+11 0.000 3.108E+04 / C3H6O1-3 + OH<=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3+O<=>CH2O+C2H3 + OH 8.430E+13 0.000 5.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3+H<=>CH2O+C2H3+H2 2.630E+07 2.000 5.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3+CH3O2<=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3+HO2<=>CH2O+C2H3+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C3H6O1-3+CH3<=>CH2O+C2H3+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC3H7O2<=>C3H6+HO2 1.015E+43 -9.409 4.149E+04 REV/ 1.954E+33 -7.289 1.667E+04 / NC3H7O2<=>C3H6+HO2 5.044E+38 -8.112 4.049E+04 REV/ 1.198E+30 -6.229 2.042E+04 / ! NEW TROE FITS FROM WAYNE (NOV 3, 2010) C4H10(+M)<=>C2H5+C2H5(+M) 1.3554E+037 -6.036 9.2929E+04 LOW / 4.7200E+018 0.000 4.9578E+04 / TROE / 7.9982E-02 1.0000E-20 3.2428E+04 4.8582E+03 / ! C4H10(+M)<=>NC3H7+CH3(+M) 6.5998E+052 -10.626 1.0033E+05 LOW / 5.3400E+017 0.000 4.2959E+04 / TROE / 9.5015E-02 1.0000E-20 5.3476E+03 4.3256E+03 / ! ! C4H10<=>PC4H9+H 1.344E+17 -0.356 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / C4H10<=>SC4H9+H 1.975E+18 -0.694 9.872E+04 REV/ 3.610E+13 0.000 0.000E+00 / C4H10 + O2<=>PC4H9+HO2 6.000E+13 0.000 5.234E+04 REV/ 3.377E+10 0.284 -1.900E+01 / C4H10 + O2<=>SC4H9+HO2 4.000E+13 0.000 4.980E+04 REV/ 1.532E+09 0.622 -4.900E+01 / C4H10+C3H5-A<=>PC4H9+C3H6 7.940E+11 0.000 2.050E+04 REV/ 1.000E+12 0.000 2.000E+04 / C4H10+C3H5-A<=>SC4H9+C3H6 3.160E+11 0.000 1.640E+04 REV/ 1.000E+12 0.000 2.000E+04 / C4H10+C2H5<=>PC4H9+C2H6 1.580E+11 0.000 1.230E+04 REV/ 3.560E+10 0.000 1.292E+04 / C4H10+C2H5<=>SC4H9+C2H6 1.000E+11 0.000 1.040E+04 REV/ 7.120E+10 0.000 9.917E+03 / C4H10+C2H3<=>PC4H9+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.570E+12 0.000 2.538E+04 / C4H10+C2H3<=>SC4H9+C2H4 8.000E+11 0.000 1.680E+04 REV/ 2.050E+12 0.000 2.418E+04 / C4H10+CH3<=>PC4H9+CH4 9.040E-01 3.650 7.154E+03 REV/ 8.853E-02 3.836 1.102E+04 / C4H10+CH3<=>SC4H9+CH4 3.020E+00 3.460 5.481E+03 REV/ 2.013E-02 3.984 1.186E+04 / C4H10+H<=>PC4H9+H2 1.880E+05 2.750 6.280E+03 REV/ 2.018E+01 3.382 8.610E+03 / C4H10+H<=>SC4H9+H2 2.600E+06 2.400 4.471E+03 REV/ 1.900E+01 3.370 9.311E+03 / C4H10 + OH<=>PC4H9+H2O 1.054E+10 0.970 1.586E+03 REV/ 1.200E+07 1.496 1.881E+04 / C4H10 + OH<=>SC4H9+H2O 9.340E+07 1.610 -3.500E+01 REV/ 7.235E+03 2.474 1.970E+04 / C4H10+O<=>PC4H9 + OH 1.130E+14 0.000 7.850E+03 REV/ 1.480E+13 0.000 1.224E+04 / C4H10+O<=>SC4H9 + OH 5.620E+13 0.000 5.200E+03 REV/ 7.350E+12 0.000 9.590E+03 / C4H10+HO2<=>PC4H9+H2O2 4.080E+01 3.590 1.716E+04 REV/ 2.534E+00 3.527 3.490E+03 / C4H10+HO2<=>SC4H9+H2O2 1.264E+02 3.370 1.372E+04 REV/ 5.343E-01 3.645 2.558E+03 / C4H10+CH3O<=>PC4H9+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 5.000E+04 / C4H10+CH3O<=>SC4H9+CH3OH 6.000E+11 0.000 7.000E+03 REV/ 2.441E+10 0.000 5.000E+04 / C4H10+C2H5O<=>PC4H9+C2H5OH 3.000E+11 0.000 7.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / C4H10+C2H5O<=>SC4H9+C2H5OH 6.000E+11 0.000 7.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / C4H10+PC4H9<=>SC4H9+C4H10 1.000E+11 0.000 1.040E+04 REV/ 1.500E+11 0.000 1.230E+04 / C4H10+CH3CO3<=>PC4H9+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / C4H10+CH3CO3<=>SC4H9+CH3CO3H 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / C4H10 + O2CHO<=>PC4H9+HO2CHO 1.680E+13 0.000 2.044E+04 REV/ 3.680E+00 2.990 2.505E+03 / C4H10 + O2CHO<=>SC4H9+HO2CHO 1.120E+13 0.000 1.769E+04 REV/ 7.595E+03 2.060 4.266E+03 / CH3O2+C4H10<=>CH3O2H+PC4H9 1.386E+00 3.970 1.828E+04 REV/ 1.675E+00 3.462 3.016E+03 / CH3O2+C4H10<=>CH3O2H+SC4H9 2.037E+01 3.580 1.481E+04 REV/ 1.675E+00 3.410 2.050E+03 / C2H5O2+C4H10<=>C2H5O2H+PC4H9 4.080E+01 3.590 1.716E+04 REV/ 4.938E+01 3.082 1.899E+03 / C2H5O2+C4H10<=>C2H5O2H+SC4H9 1.264E+02 3.370 1.372E+04 REV/ 1.041E+01 3.200 9.670E+02 / NC3H7O2+C4H10<=>NC3H7O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / NC3H7O2+C4H10<=>NC3H7O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC3H7O2+C4H10<=>IC3H7O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC3H7O2+C4H10<=>IC3H7O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9O2+C3H8<=>PC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9O2+C3H8<=>PC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9O2+C4H10<=>PC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9O2+C4H10<=>PC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / SC4H9O2+C3H8<=>SC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / SC4H9O2+C3H8<=>SC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / SC4H9O2+C4H10<=>SC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / SC4H9O2+C4H10<=>SC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9<=>C2H5+C2H4 3.504E+12 0.463 2.947E+04 REV/ 1.320E+04 2.480 6.130E+03 / SC4H9<=>C3H6+CH3 4.803E+10 1.044 3.035E+04 REV/ 1.760E+04 2.480 6.130E+03 / PC4H9<=>C4H8-1+H 2.622E+12 0.253 3.570E+04 REV/ 2.500E+11 0.510 2.620E+03 / SC4H9<=>C4H8-2+H 2.844E+11 0.337 3.552E+04 REV/ 2.500E+11 0.510 2.620E+03 / SC4H9<=>C4H8-1+H 3.027E+11 0.591 3.682E+04 REV/ 4.240E+11 0.510 1.230E+03 / PC4H9 + O2<=>C4H8-1+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / SC4H9 + O2<=>C4H8-1+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / SC4H9 + O2<=>C4H8-2+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / C4H8-1<=>C3H5-A+CH3 5.081E+19 -1.256 7.651E+04 REV/ 1.350E+13 0.000 0.000E+00 / C4H8-1<=>C2H3+C2H5 2.882E+23 -1.990 1.016E+05 REV/ 9.000E+12 0.000 0.000E+00 / C4H8-1<=>H+C4H71-3 3.724E+14 -0.111 8.520E+04 REV/ 5.000E+13 0.000 0.000E+00 / C4H8-1 + O2<=>C4H71-3+HO2 2.000E+13 0.000 3.719E+04 REV/ 4.653E+12 0.070 -1.680E+02 / C4H8-1+H<=>C4H71-1+H2 7.810E+05 2.500 1.229E+04 REV/ 2.213E+05 2.360 6.469E+03 / C4H8-1+H<=>C4H71-2+H2 3.900E+05 2.500 5.821E+03 REV/ 2.558E+04 2.550 2.125E+03 / C4H8-1+H<=>C4H71-3+H2 3.376E+05 2.360 2.070E+02 REV/ 4.323E+06 2.100 2.033E+04 / C4H8-1+H<=>C4H71-4+H2 6.651E+05 2.540 6.756E+03 REV/ 3.045E+04 2.540 1.103E+04 / C4H8-1 + OH<=>C4H71-1+H2O 2.140E+06 2.000 2.778E+03 REV/ 2.625E+06 1.860 1.212E+04 / C4H8-1 + OH<=>C4H71-2+H2O 2.220E+06 2.000 1.451E+03 REV/ 6.304E+05 2.050 1.291E+04 / C4H8-1 + OH<=>C4H71-3+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.532E+06 2.380 3.336E+04 / C4H8-1 + OH<=>C4H71-4+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.044E+09 0.970 2.101E+04 / C4H8-1+CH3<=>C4H71-3+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.234E+03 3.050 2.461E+04 / C4H8-1+CH3<=>C4H71-4+CH4 4.520E-01 3.650 7.154E+03 REV/ 5.405E-01 3.650 1.191E+04 / C4H8-1+HO2<=>C4H71-3+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.586E+06 1.960 1.435E+04 / C4H8-1+HO2<=>C4H71-4+H2O2 2.380E+03 2.550 1.649E+04 REV/ 2.800E+03 2.220 4.460E+03 / C4H8-1+CH3O2<=>C4H71-3+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.303E+06 1.790 1.133E+04 / C4H8-1+CH3O2<=>C4H71-4+CH3O2H 2.380E+03 2.550 1.649E+04 REV/ 5.831E+03 2.040 1.440E+03 / C4H8-1+CH3O<=>C4H71-3+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.470E+02 2.670 2.700E+04 / C4H8-1+CH3O<=>C4H71-4+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 4.789E+09 0.020 9.002E+03 / C4H8-1+CH3CO3<=>C4H71-3+CH3CO3H 1.000E+11 0.000 8.000E+03 REV/ 2.000E+10 0.000 1.000E+04 / C4H8-1+C3H5-A<=>C4H71-3+C3H6 7.900E+10 0.000 1.240E+04 REV/ 1.000E+11 0.000 1.750E+04 / C4H8-1+C4H6<=>C4H71-3+C4H71-3 2.350E+12 0.000 4.672E+04 REV/ 1.600E+12 0.000 0.000E+00 / C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / C4H8-1+NC3H7O2<=>C4H71-3+NC3H7O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / C4H8-1+IC3H7O2<=>C4H71-3+IC3H7O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / C4H8-1+PC4H9O2<=>C4H71-3+PC4H9O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / C4H8-1+SC4H9O2<=>C4H71-3+SC4H9O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / C4H8-1+CH3O2<=>C4H8O1-2+CH3O 1.000E+12 0.000 1.434E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8-2<=>H+C4H71-3 2.337E+14 0.143 8.789E+04 REV/ 5.000E+13 0.000 0.000E+00 / C4H8-2 + O2<=>C4H71-3+HO2 4.000E+13 0.000 3.939E+04 REV/ 1.350E+13 -0.180 -9.240E+02 / C4H8-2+H<=>C4H71-3+H2 3.460E+05 2.500 2.492E+03 REV/ 6.428E+06 1.990 1.966E+04 / C4H8-2 + OH<=>C4H71-3+H2O 6.240E+06 2.000 -2.980E+02 REV/ 5.019E+08 1.490 3.202E+04 / C4H8-2+CH3<=>C4H71-3+CH4 4.420E+00 3.500 5.675E+03 REV/ 2.145E+03 2.990 2.332E+04 / C4H8-2+HO2<=>C4H71-3+H2O2 1.928E+04 2.600 1.391E+04 REV/ 9.205E+06 1.770 1.477E+04 / C4H8-2+CH3O2<=>C4H71-3+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 1.917E+07 1.590 1.175E+04 / C4H8-2+CH3O<=>C4H71-3+CH3OH 1.800E+01 2.950 1.199E+04 REV/ 1.612E+02 2.470 2.742E+04 / C4H8-2+C2H5O2<=>C4H71-3+C2H5O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / C4H8-2+NC3H7O2<=>C4H71-3+NC3H7O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / C4H8-2+IC3H7O2<=>C4H71-3+IC3H7O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / C4H8-2+PC4H9O2<=>C4H71-3+PC4H9O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / C4H8-2+SC4H9O2<=>C4H71-3+SC4H9O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / C4H8-1+HO2<=>C4H8O1-2 + OH 1.000E+12 0.000 1.434E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8-2+HO2<=>C4H8O2-3 + OH 5.620E+11 0.000 1.231E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8-2+CH3O2<=>C4H8O2-3+CH3O 5.620E+11 0.000 1.231E+04 REV/ 0.000E+00 0.000 0.000E+00 / PC4H8OH<=>C4H8-1 + OH 1.079E+16 -0.699 2.809E+04 REV/ 4.750E+12 0.000 -7.820E+02 / SC4H8OH<=>C4H8-2 + OH 3.379E+17 -1.253 2.992E+04 REV/ 4.750E+12 0.000 -7.820E+02 / C4H8OH-1O2<=>PC4H8OH + O2 6.753E+20 -1.944 3.552E+04 REV/ 2.000E+12 0.000 0.000E+00 / C4H8OH-2O2<=>SC4H8OH + O2 7.686E+20 -1.968 3.551E+04 REV/ 2.000E+12 0.000 0.000E+00 / C4H8OH-1O2<=>C2H5CHO+CH2O + OH 1.000E+16 0.000 2.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OH-2O2<=>OH+CH3CHO+CH3CHO 1.000E+16 0.000 2.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H71-1<=>C2H2+C2H5 1.066E+15 -0.560 3.032E+04 REV/ 2.000E+11 0.000 7.800E+03 / C4H71-2<=>C3H4-A+CH3 9.589E+14 -0.710 3.126E+04 REV/ 2.000E+11 0.000 7.800E+03 / C4H71-4<=>C2H4+C2H3 8.766E+12 -0.220 3.629E+04 REV/ 2.000E+11 0.000 7.800E+03 / ! ! C4H71-4<=>C4H6+H 3.00E+13 0.00 3.500E+04 !!!ADDED 1984WEI/BEN307-333 ! ! C4H72-2<=>C3H4-P+CH3 6.326E+10 0.520 3.002E+04 REV/ 1.000E+11 0.000 7.800E+03 / C4H71-3<=>C4H6+H 1.200E+14 0.000 4.930E+04 REV/ 4.000E+13 0.000 1.300E+03 / C4H71-3+C2H5<=>C4H8-1+C2H4 2.590E+12 0.000 -1.310E+02 REV/ 1.149E+13 0.060 4.944E+04 / C4H71-3+CH3O<=>C4H8-1+CH2O 2.410E+13 0.000 0.000E+00 REV/ 2.482E+12 0.280 6.633E+04 / C4H71-3+O<=>C2H3CHO+CH3 6.030E+13 0.000 0.000E+00 REV/ 3.385E+15 -0.780 8.163E+04 / C4H71-3+HO2<=>C4H7O + OH 9.640E+12 0.000 0.000E+00 REV/ 7.290E+15 -1.090 1.553E+04 / C4H71-3+CH3O2<=>C4H7O+CH3O 9.640E+12 0.000 0.000E+00 REV/ 7.120E+17 -1.670 2.029E+04 / C3H5-A+C4H71-3<=>C3H6+C4H6 6.310E+12 0.000 0.000E+00 REV/ 1.000E+10 0.000 5.000E+04 / C4H71-3 + O2<=>C4H6+HO2 1.000E+09 0.000 0.000E+00 REV/ 1.000E+11 0.000 1.700E+04 / H+C4H71-3<=>C4H6+H2 3.160E+13 0.000 0.000E+00 REV/ 1.066E+13 0.000 5.681E+04 / C2H5+C4H71-3<=>C4H6+C2H6 3.980E+12 0.000 0.000E+00 REV/ 3.211E+12 0.000 4.984E+04 / C2H3+C4H71-3<=>C2H4+C4H6 3.980E+12 0.000 0.000E+00 REV/ 1.157E+13 0.000 5.771E+04 / C4H71-3+C2H5O2<=>C4H7O+C2H5O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / IC3H7O2+C4H71-3<=>IC3H7O+C4H7O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / NC3H7O2+C4H71-3<=>NC3H7O+C4H7O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / C4H7O<=>CH3CHO+C2H3 7.940E+14 0.000 1.900E+04 REV/ 1.000E+10 0.000 2.000E+04 / C4H7O<=>C2H3CHO+CH3 7.940E+14 0.000 1.900E+04 REV/ 1.000E+10 0.000 2.000E+04 / C4H6<=>C2H3+C2H3 4.027E+19 -1.000 9.815E+04 REV/ 1.260E+13 0.000 0.000E+00 / C4H6 + OH<=>C2H5+CH2CO 1.000E+12 0.000 0.000E+00 REV/ 3.730E+12 0.000 3.002E+04 / C4H6 + OH<=>CH2O+C3H5-A 1.000E+12 0.000 0.000E+00 REV/ 3.501E+06 0.000 7.106E+04 / C4H6 + OH<=>C2H3+CH3CHO 1.000E+12 0.000 0.000E+00 REV/ 5.437E+11 0.000 1.855E+04 / C4H6+O<=>C2H4+CH2CO 1.000E+12 0.000 0.000E+00 REV/ 6.377E+11 0.000 9.434E+04 / C4H6+O<=>CH2O+C3H4-A 1.000E+12 0.000 0.000E+00 REV/ 1.075E+12 0.000 7.905E+04 / C2H3+C2H4<=>C4H6+H 5.000E+11 0.000 7.300E+03 REV/ 1.000E+13 0.000 4.700E+03 / C4H8O1-2 + OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-2+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-2+O<=>CH2O+C3H5-A + OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-2+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-2+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-2+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3 + OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3+O<=>CH2O+C3H5-A + OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-3+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4 + OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4+O<=>CH2O+C3H5-A + OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O1-4+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3 + OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3+O<=>CH2O+C3H5-A + OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8O2-3+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2<=>PC4H9 + O2 2.849E+20 -1.642 3.593E+04 REV/ 4.520E+12 0.000 0.000E+00 / SC4H9O2<=>SC4H9 + O2 4.329E+22 -2.216 3.816E+04 REV/ 7.540E+12 0.000 0.000E+00 / SC4H9O2+CH2O<=>SC4H9O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / SC4H9O2+CH3CHO<=>SC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / SC4H9O2+HO2<=>SC4H9O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.861E+13 -0.796 3.362E+04 / IC3H7O2+PC4H9<=>IC3H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.281E+13 0.075 2.748E+04 / IC3H7O2+SC4H9<=>IC3H7O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 3.942E+15 -0.417 2.919E+04 / NC3H7O2+PC4H9<=>NC3H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.056E+15 -0.611 2.768E+04 / NC3H7O2+SC4H9<=>NC3H7O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.825E+17 -1.103 2.939E+04 / SC4H9O2+SC4H9O2<=>O2+SC4H9O+SC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+NC3H7O2<=>SC4H9O+NC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+IC3H7O2<=>SC4H9O+IC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+C2H5O2<=>SC4H9O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+CH3O2<=>SC4H9O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+CH3CO3<=>SC4H9O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+HO2=>PC4H9O + OH + O2 1.400E-14 -1.610 1.860E+03 !REV/ 0.000E+00 0.000 0.000E+00 / SC4H9O2+HO2=>SC4H9O + OH + O2 1.400E-14 -1.610 1.860E+03 !REV/ 0.000E+00 0.000 0.000E+00 / H2+PC4H9O2<=>H+PC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / H2+SC4H9O2<=>H+SC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / C2H6+PC4H9O2<=>C2H5+PC4H9O2H 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / C2H6+SC4H9O2<=>C2H5+SC4H9O2H 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / PC4H9O2+C2H5CHO<=>PC4H9O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / SC4H9O2+C2H5CHO<=>SC4H9O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / SC4H9O2+CH3<=>SC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.176E+13 0.067 2.611E+04 / SC4H9O2+C2H5<=>SC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.672E+15 -0.534 2.852E+04 / SC4H9O2+IC3H7<=>SC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 2.852E+15 -0.367 2.919E+04 / SC4H9O2+NC3H7<=>SC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.688E+15 -0.503 2.719E+04 / SC4H9O2+PC4H9<=>SC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.342E+15 -0.553 2.687E+04 / SC4H9O2+SC4H9<=>SC4H9O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.048E+17 -1.045 2.858E+04 / SC4H9O2+C3H5-A<=>SC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 4.356E+11 0.249 1.353E+04 / PC4H9O2+CH2O<=>PC4H9O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / PC4H9O2+CH3CHO<=>PC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / PC4H9O2+HO2<=>PC4H9O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 4.357E+13 -0.813 3.363E+04 / C3H6+PC4H9O2<=>C3H5-A+PC4H9O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C3H6+SC4H9O2<=>C3H5-A+SC4H9O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / C2H4+PC4H9O2<=>C2H3+PC4H9O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / C2H4+SC4H9O2<=>C2H3+SC4H9O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / CH3OH+PC4H9O2<=>CH2OH+PC4H9O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / CH3OH+SC4H9O2<=>CH2OH+SC4H9O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / C2H3CHO+PC4H9O2<=>C2H3CO+PC4H9O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / C2H3CHO+SC4H9O2<=>C2H3CO+SC4H9O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / CH4+PC4H9O2<=>CH3+PC4H9O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / CH4+SC4H9O2<=>CH3+SC4H9O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / C4H71-3+PC4H9O2<=>C4H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.186E+14 -0.763 1.610E+04 / C4H71-3+SC4H9O2<=>C4H7O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.251E+14 -0.680 1.558E+04 / H2O2+PC4H9O2<=>HO2+PC4H9O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / H2O2+SC4H9O2<=>HO2+SC4H9O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / PC4H9O2+PC4H9O2<=>O2+PC4H9O+PC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+SC4H9O2<=>PC4H9O+SC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+NC3H7O2<=>PC4H9O+NC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+IC3H7O2<=>PC4H9O+IC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+C2H5O2<=>PC4H9O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+CH3O2<=>PC4H9O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+CH3CO3<=>PC4H9O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / PC4H9O2+CH3<=>PC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 6.199E+12 -0.015 2.663E+04 / PC4H9O2+C2H5<=>PC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 8.813E+14 -0.617 2.904E+04 / PC4H9O2+IC3H7<=>PC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.503E+15 -0.450 2.971E+04 / PC4H9O2+NC3H7<=>PC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 8.898E+14 -0.586 2.771E+04 / PC4H9O2+PC4H9<=>PC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.235E+15 -0.636 2.739E+04 / PC4H9O2+SC4H9<=>PC4H9O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.134E+17 -1.128 2.910E+04 / PC4H9O2+C3H5-A<=>PC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.296E+11 0.167 1.405E+04 / PC4H9+HO2<=>PC4H9O + OH 7.000E+12 0.000 -1.000E+03 REV/ 8.630E+15 -0.743 2.500E+04 / SC4H9+HO2<=>SC4H9O + OH 7.000E+12 0.000 -1.000E+03 REV/ 1.491E+18 -1.234 2.671E+04 / CH3O2+PC4H9<=>CH3O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.398E+14 -0.444 2.924E+04 / CH3O2+SC4H9<=>CH3O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 9.329E+16 -0.936 3.095E+04 / PC4H9O2H<=>PC4H9O + OH 1.500E+16 0.000 4.250E+04 REV/ 1.178E+08 1.712 -4.342E+03 / SC4H9O2H<=>SC4H9O + OH 9.450E+15 0.000 4.160E+04 !REV/ 1.589E+08 1.778 -5.752E+03 / REV/ 1.0E15 -0.8 0.0 / ! WJP: EST. (KR FROM THERMO ABOVE COLLISIONAL.) PC4H9O<=>NC3H7+CH2O 1.558E+21 -2.444 1.523E+04 REV/ 5.000E+10 0.000 3.457E+03 / SC4H9O<=>CH3+C2H5CHO 4.381E+16 -0.893 1.520E+04 REV/ 5.000E+10 0.000 9.043E+03 / SC4H9O<=>C2H5+CH3CHO 5.489E+22 -2.757 1.265E+04 REV/ 3.330E+10 0.000 6.397E+03 / PC4H9O2<=>C4H8OOH1-2 2.000E+11 0.000 2.685E+04 REV/ 5.597E+08 0.339 1.197E+04 / PC4H9O2<=>C4H8OOH1-3 2.500E+10 0.000 2.085E+04 REV/ 3.231E+09 -0.136 7.871E+03 / PC4H9O2<=>C4H8OOH1-4 4.688E+09 0.000 2.195E+04 REV/ 1.269E+10 -0.523 6.900E+03 / SC4H9O2<=>C4H8OOH2-1 3.000E+11 0.000 2.940E+04 REV/ 7.442E+11 -0.511 1.394E+04 / SC4H9O2<=>C4H8OOH2-3 2.000E+11 0.000 2.685E+04 REV/ 3.994E+10 -0.196 1.393E+04 / SC4H9O2<=>C4H8OOH2-4 3.750E+10 0.000 2.400E+04 REV/ 9.302E+10 -0.511 8.944E+03 / PC4H9O2<=>C4H8-1+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.599E+30 -6.283 2.035E+04 / SC4H9O2<=>C4H8-1+HO2 5.075E+42 -9.410 4.149E+04 REV/ 2.595E+33 -7.347 1.661E+04 / SC4H9O2<=>C4H8-2+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.618E+29 -5.793 1.830E+04 / C4H8OOH1-2<=>C4H8-1+HO2 8.828E+16 -1.488 1.626E+04 REV/ 1.000E+11 0.000 1.100E+04 / C4H8OOH2-1<=>C4H8-1+HO2 4.851E+20 -2.574 2.118E+04 REV/ 1.000E+11 0.000 1.175E+04 / C4H8OOH2-3<=>C4H8-2+HO2 6.224E+19 -2.513 2.102E+04 REV/ 1.000E+11 0.000 1.175E+04 / C4H8OOH1-2<=>C4H8O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH1-3<=>C4H8O1-3 + OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH1-4<=>C4H8O1-4 + OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH2-1<=>C4H8O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH2-3<=>C4H8O2-3 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH2-4<=>C4H8O1-3 + OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH1-1<=>NC3H7CHO + OH 9.000E+14 0.000 1.500E+03 REV/ 1.733E+08 1.890 3.347E+04 / C4H8OOH2-2<=>C2H5COCH3 + OH 9.000E+14 0.000 1.500E+03 REV/ 1.990E+10 1.340 3.551E+04 / C4H8OOH1-3<=>OH+CH2O+C3H6 6.635E+13 -0.160 2.990E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH2-4<=>OH+CH3CHO+C2H4 1.945E+18 -1.630 2.679E+04 REV/ 0.000E+00 0.000 0.000E+00 / C4H8OOH1-2O2<=>C4H8OOH1-2 + O2 2.586E+24 -2.709 3.986E+04 REV/ 7.540E+12 0.000 0.000E+00 / C4H8OOH1-3O2<=>C4H8OOH1-3 + O2 5.601E+22 -2.234 3.796E+04 REV/ 7.540E+12 0.000 0.000E+00 / C4H8OOH1-4O2<=>C4H8OOH1-4 + O2 2.569E+20 -1.611 3.568E+04 REV/ 4.520E+12 0.000 0.000E+00 / C4H8OOH2-1O2<=>C4H8OOH2-1 + O2 2.821E+20 -1.622 3.570E+04 REV/ 4.520E+12 0.000 0.000E+00 / C4H8OOH2-3O2<=>C4H8OOH2-3 + O2 4.516E+22 -2.218 3.788E+04 REV/ 7.540E+12 0.000 0.000E+00 / C4H8OOH2-4O2<=>C4H8OOH2-4 + O2 2.821E+20 -1.622 3.570E+04 REV/ 4.520E+12 0.000 0.000E+00 / C4H8OOH1-2O2<=>NC4KET12 + OH 2.000E+11 0.000 2.600E+04 REV/ 3.199E+04 1.323 4.893E+04 / C4H8OOH1-3O2<=>NC4KET13 + OH 2.500E+10 0.000 2.100E+04 REV/ 1.435E+03 1.486 4.474E+04 / C4H8OOH1-4O2<=>NC4KET14 + OH 3.125E+09 0.000 1.895E+04 REV/ 1.726E+02 1.494 4.269E+04 / C4H8OOH2-1O2<=>NC4KET21 + OH 1.000E+11 0.000 2.345E+04 REV/ 3.626E+02 1.835 5.005E+04 / C4H8OOH2-3O2<=>NC4KET23 + OH 1.000E+11 0.000 2.345E+04 REV/ 1.739E+03 1.731 4.913E+04 / C4H8OOH2-4O2<=>NC4KET24 + OH 1.250E+10 0.000 1.745E+04 REV/ 1.021E+02 1.843 4.392E+04 / NC4KET12<=>C2H5CHO+HCO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC4KET13<=>CH3CHO+CH2CHO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC4KET14<=>CH2CH2CHO+CH2O + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC4KET21<=>CH2O+C2H5CO + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC4KET23<=>CH3CHO+CH3CO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC4KET24<=>CH2O+CH3COCH2 + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C2H5COCH3 + OH<=>CH2CH2COCH3+H2O 7.550E+09 0.970 1.586E+03 REV/ 1.527E+09 0.960 2.102E+04 / C2H5COCH3 + OH<=>CH3CHCOCH3+H2O 8.450E+11 0.000 -2.280E+02 REV/ 1.586E+13 -0.230 2.862E+04 / C2H5COCH3 + OH<=>C2H5COCH2+H2O 5.100E+11 0.000 1.192E+03 REV/ 6.628E+13 -0.700 2.767E+04 / C2H5COCH3+HO2<=>CH2CH2COCH3+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.857E+04 2.220 4.459E+03 / C2H5COCH3+HO2<=>CH3CHCOCH3+H2O2 2.000E+11 0.000 8.698E+03 REV/ 2.229E+13 -0.550 6.080E+03 / C2H5COCH3+HO2<=>C2H5COCH2+H2O2 2.380E+04 2.550 1.469E+04 REV/ 1.836E+07 1.520 9.702E+03 / C2H5COCH3+O<=>CH2CH2COCH3 + OH 2.250E+13 0.000 7.700E+03 REV/ 4.616E+11 -0.010 9.882E+03 / C2H5COCH3+O<=>CH3CHCOCH3 + OH 3.070E+13 0.000 3.400E+03 REV/ 5.847E+13 -0.230 1.500E+04 / C2H5COCH3+O<=>C2H5COCH2 + OH 5.000E+12 0.000 5.962E+03 REV/ 6.592E+13 -0.700 1.519E+04 / C2H5COCH3+H<=>CH2CH2COCH3+H2 9.160E+06 2.000 7.700E+03 REV/ 4.279E+05 1.990 1.198E+04 / C2H5COCH3+H<=>CH3CHCOCH3+H2 4.460E+06 2.000 3.200E+03 REV/ 1.934E+07 1.770 1.689E+04 / C2H5COCH3+H<=>C2H5COCH2+H2 9.300E+12 0.000 6.357E+03 REV/ 2.792E+14 -0.700 1.768E+04 / C2H5COCH3 + O2<=>CH2CH2COCH3+HO2 2.050E+13 0.000 5.131E+04 REV/ 1.740E+10 0.320 -1.895E+03 / C2H5COCH3 + O2<=>CH3CHCOCH3+HO2 1.550E+13 0.000 4.197E+04 REV/ 1.221E+12 0.100 -1.822E+03 / C2H5COCH3 + O2<=>C2H5COCH2+HO2 2.050E+13 0.000 4.915E+04 REV/ 1.118E+13 -0.370 2.988E+03 / C2H5COCH3+CH3<=>CH2CH2COCH3+CH4 3.190E+01 3.170 7.172E+03 REV/ 3.893E+01 3.160 1.193E+04 / C2H5COCH3+CH3<=>CH3CHCOCH3+CH4 1.740E+00 3.460 3.680E+03 REV/ 1.971E+02 3.230 1.745E+04 / C2H5COCH3+CH3<=>C2H5COCH2+CH4 1.620E+11 0.000 9.630E+03 REV/ 1.270E+14 -0.700 2.143E+04 / C2H5COCH3+CH3O<=>CH2CH2COCH3+CH3OH 2.170E+11 0.000 6.460E+03 REV/ 4.887E+09 0.020 9.007E+03 / C2H5COCH3+CH3O<=>CH3CHCOCH3+CH3OH 1.450E+11 0.000 2.771E+03 REV/ 3.031E+11 -0.200 1.473E+04 / C2H5COCH3+CH3O<=>C2H5COCH2+CH3OH 2.170E+11 0.000 4.660E+03 REV/ 3.140E+12 -0.680 1.425E+04 / C2H5COCH3+CH3O2<=>CH2CH2COCH3+CH3O2H 3.010E+12 0.000 1.938E+04 REV/ 7.525E+12 -0.510 4.329E+03 / C2H5COCH3+CH3O2<=>CH3CHCOCH3+CH3O2H 2.000E+12 0.000 1.525E+04 REV/ 4.641E+14 -0.730 9.612E+03 / C2H5COCH3+CH3O2<=>C2H5COCH2+CH3O2H 3.010E+12 0.000 1.758E+04 REV/ 4.836E+15 -1.200 9.572E+03 / C2H5COCH3+C2H3<=>CH2CH2COCH3+C2H4 5.000E+11 0.000 1.040E+04 REV/ 3.436E+08 0.820 1.403E+04 / C2H5COCH3+C2H3<=>CH3CHCOCH3+C2H4 3.000E+11 0.000 3.400E+03 REV/ 1.914E+10 0.600 1.644E+04 / C2H5COCH3+C2H3<=>C2H5COCH2+C2H4 6.150E+10 0.000 4.278E+03 REV/ 2.716E+10 0.130 1.495E+04 / C2H5COCH3+C2H5<=>CH2CH2COCH3+C2H6 5.000E+10 0.000 1.340E+04 REV/ 9.549E+12 -0.570 1.399E+04 / C2H5COCH3+C2H5<=>CH3CHCOCH3+C2H6 3.000E+10 0.000 8.600E+03 REV/ 5.319E+14 -0.790 1.860E+04 / C2H5COCH3+C2H5<=>C2H5COCH2+C2H6 5.000E+10 0.000 1.160E+04 REV/ 6.136E+15 -1.260 1.923E+04 / CH3CHOOCOCH3<=>CH3CHCOCH3 + O2 1.372E+17 -1.690 2.846E+04 REV/ 1.000E+11 0.000 0.000E+00 / CH3CHOOCOCH3<=>CH2CHOOHCOCH3 8.900E+12 0.000 2.970E+04 REV/ 4.703E+13 -0.520 1.696E+04 / CH2CHOOHCOCH3<=>C2H3COCH3+HO2 2.026E+19 -2.350 1.413E+04 REV/ 7.000E+10 0.000 7.800E+03 / CH2CH2CHO<=>C2H4+HCO 3.127E+13 -0.520 2.459E+04 REV/ 1.500E+11 0.000 8.300E+03 / CH2CH2COCH3<=>C2H4+CH3CO 1.000E+14 0.000 1.800E+04 REV/ 1.000E+11 0.000 0.000E+00 / C2H5COCH2<=>CH2CO+C2H5 1.000E+14 0.000 3.500E+04 REV/ 1.000E+11 0.000 0.000E+00 / CH3CHCOCH3<=>C2H3COCH3+H 3.417E+16 -0.820 4.177E+04 REV/ 5.000E+12 0.000 1.200E+03 / CH3CHCOCH3<=>CH3CHCO+CH3 1.406E+15 -0.440 3.834E+04 REV/ 1.230E+11 0.000 7.800E+03 / NC3H7CHO + O2<=>NC3H7CO+HO2 1.200E+05 2.500 3.756E+04 REV/ 1.000E+07 0.500 4.000E+03 / NC3H7CHO + OH<=>NC3H7CO+H2O 2.000E+06 1.800 -1.300E+03 REV/ 1.553E+04 2.320 2.805E+04 / NC3H7CHO+H<=>NC3H7CO+H2 4.140E+09 1.120 2.320E+03 REV/ 3.030E+06 1.746 1.678E+04 / NC3H7CHO+O<=>NC3H7CO + OH 5.940E+12 0.000 1.868E+03 REV/ 2.258E+09 0.607 1.492E+04 / NC3H7CHO+HO2<=>NC3H7CO+H2O2 4.090E+04 2.500 1.020E+04 REV/ 1.733E+04 2.431 8.662E+03 / NC3H7CHO+CH3<=>NC3H7CO+CH4 2.890E-03 4.620 3.210E+03 REV/ 1.930E-03 4.800 1.921E+04 / NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 1.572E+10 0.413 1.799E+04 / NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 4.090E+04 2.500 1.020E+04 REV/ 3.371E+05 1.986 7.067E+03 / NC3H7CHO + OH<=>C3H6CHO-1+H2O 5.280E+09 0.970 1.586E+03 REV/ 1.230E+07 1.494 1.882E+04 / NC3H7CHO + OH<=>C3H6CHO-2+H2O 4.680E+07 1.610 -3.500E+01 REV/ 9.102E+03 2.444 1.974E+04 / NC3H7CHO + OH<=>C3H6CHO-3+H2O 5.520E+02 3.120 -1.176E+03 REV/ 1.428E+02 3.400 2.551E+04 / NC3H7CHO+HO2<=>C3H6CHO-1+H2O2 2.379E+04 2.550 1.649E+04 REV/ 3.025E+03 2.485 2.834E+03 / NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 9.640E+03 2.600 1.391E+04 REV/ 1.023E+02 2.845 2.791E+03 / NC3H7CHO+HO2<=>C3H6CHO-3+H2O2 3.440E+12 0.050 1.788E+04 REV/ 4.855E+13 -0.259 1.366E+04 / NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H 2.379E+04 2.550 1.649E+04 REV/ 5.885E+04 2.040 1.239E+03 / NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H 9.640E+03 2.600 1.391E+04 REV/ 1.990E+03 2.400 1.196E+03 / NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H 3.440E+12 0.050 1.788E+04 REV/ 9.445E+14 -0.704 1.207E+04 / NC3H7CO<=>NC3H7+CO 1.000E+11 0.000 9.600E+03 REV/ 2.193E+03 1.763 -1.100E+03 / C3H6CHO-1<=>C2H4+CH2CHO 7.400E+11 0.000 2.197E+04 REV/ 2.110E+11 0.000 7.350E+03 / C3H6CHO-3<=>C2H5CHCO+H 8.431E+15 -0.600 4.040E+04 REV/ 5.000E+12 0.000 1.200E+03 / C3H6CHO-3<=>C2H3CHO+CH3 3.174E+14 -0.390 2.990E+04 REV/ 1.230E+11 0.000 7.800E+03 / C3H6CHO-2<=>SC3H5CHO+H 4.947E+12 -0.150 3.130E+04 REV/ 5.000E+12 0.000 2.900E+03 / C3H6CHO-2<=>C3H6+HCO 8.249E+12 -0.180 2.190E+04 REV/ 1.000E+11 0.000 6.000E+03 / C2H5CHCO + OH<=>NC3H7+CO2 3.730E+12 0.000 -1.010E+03 REV/ 0.000E+00 0.000 0.000E+00 / C2H5CHCO+H<=>NC3H7+CO 4.400E+12 0.000 1.459E+03 REV/ 0.000E+00 0.000 0.000E+00 / C2H5CHCO+O<=>C3H6+CO2 3.200E+12 0.000 -4.370E+02 REV/ 0.000E+00 0.000 0.000E+00 / SC3H5CHO + OH<=>SC3H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 4.831E+10 0.770 3.709E+04 / SC3H5CO<=>C3H5-S+CO 8.600E+15 0.000 2.300E+04 REV/ 1.000E+11 0.000 6.000E+03 / SC3H5CHO+HO2<=>SC3H5CO+H2O2 1.000E+12 0.000 1.192E+04 REV/ 1.066E+13 -0.320 1.789E+04 / SC3H5CHO+CH3<=>SC3H5CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 4.313E+13 0.010 3.146E+04 / SC3H5CHO+O<=>SC3H5CO + OH 7.180E+12 0.000 1.389E+03 REV/ 1.308E+12 0.010 2.157E+04 / SC3H5CHO + O2<=>SC3H5CO+HO2 4.000E+13 0.000 3.760E+04 REV/ 3.014E+11 0.340 2.394E+03 / SC3H5CHO+H<=>SC3H5CO+H2 2.600E+12 0.000 2.600E+03 REV/ 1.079E+12 0.010 2.488E+04 / C2H3COCH3 + OH=>CH3CHO+CH3CO 1.000E+11 0.000 0.000E+00 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / C2H3COCH3 + OH=>CH2CO+C2H3+H2O 5.100E+11 0.000 1.192E+03 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / C2H3COCH3+HO2=>CH2CHO+CH3CO + OH 6.030E+09 0.000 7.949E+03 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / C2H3COCH3+HO2=>CH2CO+C2H3+H2O2 8.500E+12 0.000 2.046E+04 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O 3.970E+11 0.000 1.705E+04 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H 3.010E+12 0.000 1.758E+04 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / IC4H10(+M)<=>CH3+IC3H7(+M) 4.830E+16 0.000 7.990E+04 !REV/ 5.747E+04 2.230 -9.643E+03 / LOW / 2.4100E+19 0.0000E+00 5.2576E+04 / TROE / 2.5000E-01 7.5000E+02 1.0000E-10 1.0000E+10 / !TROE FALL-OFF REACTION IC4H10<=>TC4H9+H 2.510E+98 -23.810 1.453E+05 REV/ 1.131E+93 -22.873 4.839E+04 / IC4H10<=>IC4H9+H 9.850E+95 -23.110 1.476E+05 REV/ 2.248E+92 -22.752 4.636E+04 / IC4H10+H<=>TC4H9+H2 6.020E+05 2.400 2.583E+03 REV/ 1.084E+00 3.613 9.213E+03 / IC4H10+H<=>IC4H9+H2 1.810E+06 2.540 6.756E+03 REV/ 1.651E+02 3.174 9.096E+03 / IC4H10+CH3<=>TC4H9+CH4 9.040E-01 3.460 4.598E+03 REV/ 1.485E-03 4.227 1.277E+04 / IC4H10+CH3<=>IC4H9+CH4 1.360E+00 3.650 7.154E+03 REV/ 1.132E-01 3.838 1.103E+04 / IC4H10 + OH<=>TC4H9+H2O 2.925E+04 2.531 -1.659E+03 REV/ 5.584E-01 3.638 1.986E+04 / IC4H10 + OH<=>IC4H9+H2O 6.654E+04 2.665 -1.689E+02 REV/ 6.437E+01 3.193 1.706E+04 / IC4H10+C2H5<=>IC4H9+C2H6 1.510E+12 0.000 1.040E+04 REV/ 3.200E+11 0.000 1.230E+04 / IC4H10+C2H5<=>TC4H9+C2H6 1.000E+11 0.000 7.900E+03 REV/ 3.000E+11 0.000 2.100E+04 / IC4H10+HO2<=>IC4H9+H2O2 6.120E+01 3.590 1.716E+04 REV/ 3.231E+00 3.529 3.500E+03 / IC4H10+HO2<=>TC4H9+H2O2 4.332E+02 3.010 1.209E+04 REV/ 4.513E-01 3.528 2.723E+03 / IC4H10+O<=>TC4H9 + OH 1.968E+05 2.402 1.150E+03 REV/ 1.839E-01 3.596 6.368E+03 / IC4H10+O<=>IC4H9 + OH 4.046E+07 2.034 5.136E+03 REV/ 1.916E+03 2.649 6.064E+03 / IC4H10+CH3O<=>IC4H9+CH3OH 4.800E+11 0.000 7.000E+03 REV/ 9.402E+08 0.421 9.567E+03 / IC4H10+CH3O<=>TC4H9+CH3OH 1.900E+10 0.000 2.800E+03 REV/ 7.344E+05 1.000 9.657E+03 / IC4H10 + O2<=>IC4H9+HO2 9.000E+13 0.000 5.229E+04 REV/ 4.306E+10 0.286 -5.900E+01 / IC4H10 + O2<=>TC4H9+HO2 1.000E+13 0.000 4.820E+04 REV/ 9.442E+07 0.865 1.410E+02 / IC4H10+CH3O2<=>IC4H9+CH3O2H 2.079E+00 3.970 1.828E+04 REV/ 2.135E+00 3.464 3.026E+03 / IC4H10+C2H5O2<=>IC4H9+C2H5O2H 2.550E+13 0.000 2.046E+04 REV/ 2.623E+13 -0.506 5.208E+03 / IC4H10+CH3CO3<=>IC4H9+CH3CO3H 2.550E+13 0.000 2.046E+04 REV/ 2.147E+12 -0.009 9.570E+03 / IC4H10+NC3H7O2<=>IC4H9+NC3H7O2H 2.550E+13 0.000 2.046E+04 REV/ 2.678E+13 -0.509 5.000E+03 / IC4H10+IC3H7O2<=>IC4H9+IC3H7O2H 2.550E+13 0.000 2.046E+04 REV/ 2.688E+13 -0.510 5.000E+03 / IC4H10+IC4H9O2<=>IC4H9+IC4H9O2H 2.550E+13 0.000 2.046E+04 REV/ 2.679E+13 -0.509 5.010E+03 / IC4H10+TC4H9O2<=>IC4H9+TC4H9O2H 2.550E+13 0.000 2.046E+04 REV/ 2.684E+13 -0.510 5.010E+03 / IC4H10 + O2CHO<=>IC4H9+HO2CHO 2.520E+13 0.000 2.044E+04 REV/ 1.006E+00 3.060 2.375E+03 / IC4H10 + O2CHO<=>TC4H9+HO2CHO 2.800E+12 0.000 1.601E+04 REV/ 1.893E+01 2.720 4.678E+03 / IC4H10+SC4H9O2<=>IC4H9+SC4H9O2H 2.250E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H10+SC4H9O2<=>TC4H9+SC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H10+PC4H9O2<=>IC4H9+PC4H9O2H 2.250E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H10+PC4H9O2<=>TC4H9+PC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H10+CH3O2<=>TC4H9+CH3O2H 1.366E+02 3.120 1.319E+04 REV/ 2.769E+00 3.193 2.228E+03 / IC4H10+C2H5O2<=>TC4H9+C2H5O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+CH3CO3<=>TC4H9+CH3CO3H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+NC3H7O2<=>TC4H9+NC3H7O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+IC3H7O2<=>TC4H9+IC3H7O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+IC4H9O2<=>TC4H9+IC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+TC4H9O2<=>TC4H9+TC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / IC4H10+IC4H9<=>TC4H9+IC4H10 2.500E+10 0.000 7.900E+03 REV/ 2.250E+11 0.000 1.230E+04 / IC4H9+HO2<=>IC4H9O + OH 7.000E+12 0.000 -1.000E+03 REV/ 3.712E+15 -0.658 2.654E+04 / TC4H9+HO2<=>TC4H9O + OH 7.000E+12 0.000 -1.000E+03 REV/ 4.083E+18 -1.329 2.865E+04 / CH3O2+IC4H9<=>CH3O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.322E+14 -0.359 3.078E+04 / CH3O2+TC4H9<=>CH3O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.554E+17 -1.030 3.289E+04 / IC4H9<=>IC4H8+H 3.371E+13 0.124 3.366E+04 REV/ 6.250E+11 0.510 2.620E+03 / IC4H9<=>C3H6+CH3 9.504E+11 0.773 3.070E+04 REV/ 1.890E+03 2.670 6.850E+03 / TC4H9<=>H+IC4H8 1.128E+12 0.703 3.656E+04 REV/ 1.060E+12 0.510 1.230E+03 / TC4H9 + O2<=>IC4H8+HO2 8.370E-01 3.590 1.196E+04 REV/ 1.648E+00 3.325 2.550E+04 / IC4H9 + O2<=>IC4H8+HO2 1.070E+00 3.710 9.322E+03 REV/ 4.158E-02 4.024 2.715E+04 / NC3H7O2+IC4H9<=>NC3H7O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.543E+14 -0.526 2.922E+04 / NC3H7O2+TC4H9<=>NC3H7O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.997E+17 -1.197 3.133E+04 / NC3H7O2+IC4H7<=>NC3H7O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.183E+11 0.182 1.350E+04 / SC4H9O2+IC4H9<=>SC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.007E+15 -0.468 2.841E+04 / SC4H9O2+TC4H9<=>SC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.108E+18 -1.139 3.052E+04 / PC4H9O2+IC4H9<=>PC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.310E+14 -0.551 2.893E+04 / PC4H9O2+TC4H9<=>PC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.841E+17 -1.222 3.104E+04 / PC4H9O2+IC4H7<=>PC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.890E+11 0.157 1.321E+04 / SC4H9O2+IC4H7<=>SC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 9.277E+11 0.240 1.269E+04 / IC4H9O2<=>IC4H9 + O2 6.640E+19 -1.575 3.608E+04 REV/ 2.260E+12 0.000 0.000E+00 / TC4H9O2<=>TC4H9 + O2 3.331E+24 -2.472 3.787E+04 REV/ 1.410E+13 0.000 0.000E+00 / IC4H9O2+C4H10<=>IC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / TC4H9O2+C4H10<=>TC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H9O2+C4H10<=>IC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / TC4H9O2+C4H10<=>TC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC3H7O2+IC4H9<=>IC3H7O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 9.811E+12 0.160 2.902E+04 / IC3H7O2+TC4H9<=>IC3H7O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.079E+16 -0.511 3.113E+04 / IC3H7O2+IC4H7<=>IC3H7O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 9.035E+09 0.868 1.330E+04 / IC4H9O2+C3H6<=>IC4H9O2H+C3H5-A 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / TC4H9O2+C3H6<=>TC4H9O2H+C3H5-A 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / IC4H9O2+IC4H8<=>IC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / TC4H9O2+IC4H8<=>TC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / PC4H9O2+IC4H8<=>PC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / SC4H9O2+IC4H8<=>SC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / IC3H7O2+IC4H8<=>IC3H7O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / NC3H7O2+IC4H8<=>NC3H7O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / IC4H9O2+C4H8-1<=>IC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / TC4H9O2+C4H8-1<=>TC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / IC4H9O2+C4H8-2<=>IC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / TC4H9O2+C4H8-2<=>TC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / CC4H8O + OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CC4H8O+H<=>CH2O+C3H5-A+H2 3.510E+07 2.000 5.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / CC4H8O+O<=>CH2O+C3H5-A + OH 1.124E+14 0.000 5.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / CC4H8O+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / CC4H8O+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / CC4H8O+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / C2H4+TC4H9O2<=>C2H3+TC4H9O2H 7.000E+11 0.000 1.711E+04 REV/ 1.000E+11 0.000 1.000E+04 / !C2H4+TC4H9O2<=>C2H3+TC4H9O2H 8.59 3.754 27132.0 !WJP: NEW C2H4+RO2 RXN RATE RULE? !REV/ 1.000E+11 0.000 1.000E+04 / TC4H9O2+CH4<=>TC4H9O2H+CH3 1.130E+13 0.000 2.046E+04 REV/ 7.500E+08 0.000 1.280E+03 / H2+TC4H9O2<=>H+TC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / TC4H9O2+C2H6<=>TC4H9O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / TC4H9O2+C3H8<=>TC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / TC4H9O2+C3H8<=>TC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / TC4H9O2+CH3OH<=>TC4H9O2H+CH2OH 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / TC4H9O2+C2H5OH<=>TC4H9O2H+PC2H4OH 6.300E+12 0.000 1.936E+04 REV/ 3.061E+12 0.000 2.210E+04 / TC4H9O2+C2H5OH<=>TC4H9O2H+SC2H4OH 4.200E+12 0.000 1.500E+04 REV/ 2.040E+12 0.000 1.774E+04 / IC4H9O2+CH3CHO<=>IC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / TC4H9O2+CH3CHO<=>TC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / IC4H9O2+C2H3CHO<=>IC4H9O2H+C2H3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / TC4H9O2+C2H3CHO<=>TC4H9O2H+C2H3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / IC4H9O2+C2H5CHO<=>IC4H9O2H+C2H5CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / TC4H9O2+C2H5CHO<=>TC4H9O2H+C2H5CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / IC4H9O2+HO2<=>IC4H9O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.843E+13 -0.795 3.362E+04 / TC4H9O2+HO2<=>TC4H9O2H + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.850E+13 -0.795 3.362E+04 / IC4H9O2+H2O2<=>IC4H9O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / TC4H9O2+H2O2<=>TC4H9O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / IC4H9O2+CH2O<=>IC4H9O2H+HCO 1.300E+11 0.000 9.000E+03 REV/ 2.500E+10 0.000 1.010E+04 / TC4H9O2+CH2O<=>TC4H9O2H+HCO 1.300E+11 0.000 9.000E+03 REV/ 2.500E+10 0.000 1.010E+04 / IC4H9O2+CH3O2<=>IC4H9O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+CH3O2<=>TC4H9O+CH3O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+C2H5O2<=>IC4H9O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+C2H5O2<=>TC4H9O+C2H5O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+CH3CO3<=>IC4H9O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+CH3CO3<=>TC4H9O+CH3CO2 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+IC4H9O2<=>O2+IC4H9O+IC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+TC4H9O2<=>IC4H9O+TC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+TC4H9O2<=>O2+TC4H9O+TC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+PC4H9O2<=>IC4H9O+PC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+PC4H9O2<=>TC4H9O+PC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+SC4H9O2<=>IC4H9O+SC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+SC4H9O2<=>TC4H9O+SC4H9O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+NC3H7O2<=>IC4H9O+NC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+NC3H7O2<=>TC4H9O+NC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+IC3H7O2<=>IC4H9O+IC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+IC3H7O2<=>TC4H9O+IC3H7O + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+HO2<=>IC4H9O + OH + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC4H9O2+HO2<=>TC4H9O + OH + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2+CH3<=>IC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 5.720E+12 0.003 2.802E+04 / IC4H9O2+C2H5<=>IC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 8.133E+14 -0.599 3.043E+04 / IC4H9O2+IC3H7<=>IC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.387E+15 -0.432 3.110E+04 / IC4H9O2+NC3H7<=>IC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 8.212E+14 -0.568 2.910E+04 / IC4H9O2+PC4H9<=>IC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.139E+15 -0.618 2.878E+04 / IC4H9O2+SC4H9<=>IC4H9O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.969E+17 -1.110 3.049E+04 / IC4H9O2+IC4H9<=>IC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.900E+14 -0.533 3.032E+04 / IC4H9O2+TC4H9<=>IC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.390E+17 -1.204 3.243E+04 / IC4H9O2+C3H5-A<=>IC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.119E+11 0.184 1.544E+04 / IC4H9O2+C4H71-3<=>IC4H9O+C4H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.095E+14 -0.745 1.749E+04 / IC4H9O2+IC4H7<=>IC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.512E+11 0.175 1.460E+04 / TC4H9O2+CH3<=>TC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 7.824E+11 0.229 2.834E+04 / TC4H9O2+C2H5<=>TC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.112E+14 -0.372 3.075E+04 / TC4H9O2+IC3H7<=>TC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.898E+14 -0.206 3.142E+04 / TC4H9O2+NC3H7<=>TC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.123E+14 -0.341 2.942E+04 / TC4H9O2+PC4H9<=>TC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.558E+14 -0.392 2.910E+04 / TC4H9O2+SC4H9<=>TC4H9O+SC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.693E+16 -0.883 3.081E+04 / TC4H9O2+IC4H9<=>TC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 6.703E+13 -0.307 3.064E+04 / TC4H9O2+TC4H9<=>TC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 7.373E+16 -0.978 3.275E+04 / TC4H9O2+C3H5-A<=>TC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.898E+10 0.411 1.576E+04 / TC4H9O2+C4H71-3<=>TC4H9O+C4H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.497E+13 -0.519 1.781E+04 / TC4H9O2+IC4H7<=>TC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 6.172E+10 0.401 1.492E+04 / IC4H9O2+C2H4<=>IC4H9O2H+C2H3 2.000E+11 0.000 6.000E+03 REV/ 2.000E+10 0.000 8.000E+03 / IC4H9O2+CH4<=>IC4H9O2H+CH3 1.130E+13 0.000 2.046E+04 REV/ 7.500E+08 0.000 1.280E+03 / H2+IC4H9O2<=>H+IC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / IC4H9O2+C2H6<=>IC4H9O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H9O2+C3H8<=>IC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H9O2+C3H8<=>IC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / IC4H9O2+CH3OH<=>IC4H9O2H+CH2OH 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / IC4H9O2+C2H5OH<=>IC4H9O2H+PC2H4OH 6.300E+12 0.000 1.936E+04 REV/ 3.061E+12 0.000 2.210E+04 / IC4H9O2+C2H5OH<=>IC4H9O2H+SC2H4OH 4.200E+12 0.000 1.500E+04 REV/ 2.040E+12 0.000 1.774E+04 / IC4H9O2H<=>IC4H9O + OH 1.500E+16 0.000 4.250E+04 REV/ 1.233E+08 1.712 -2.942E+03 / TC4H9O2H<=>TC4H9O + OH 5.950E+15 0.000 4.254E+04 REV/ 6.677E+06 1.939 -2.582E+03 / IC4H9O+HO2<=>IC3H7CHO+H2O2 1.000E+12 0.000 0.000E+00 REV/ 1.380E+13 -0.250 7.213E+04 / IC4H9O + OH<=>IC3H7CHO+H2O 1.810E+13 0.000 0.000E+00 REV/ 4.209E+13 0.080 1.036E+05 / IC4H9O+CH3<=>IC3H7CHO+CH4 2.400E+13 0.000 0.000E+00 REV/ 3.368E+14 0.080 8.892E+04 / IC4H9O+O<=>IC3H7CHO + OH 6.000E+12 0.000 0.000E+00 REV/ 1.415E+12 0.080 8.635E+04 / IC4H9O+H<=>IC3H7CHO+H2 1.990E+13 0.000 0.000E+00 REV/ 1.069E+13 0.080 8.844E+04 / IC4H9O<=>IC3H7CHO+H 4.000E+14 0.000 2.150E+04 REV/ 1.139E+10 1.080 2.500E+03 / IC4H9O<=>CH2O+IC3H7 2.000E+14 0.000 1.750E+04 REV/ 1.877E+02 2.796 4.591E+03 / TC4H9O<=>CH3COCH3+CH3 9.558E+22 -2.548 1.865E+04 REV/ 1.500E+11 0.000 1.190E+04 / IC4H9O + O2<=>IC3H7CHO+HO2 1.930E+11 0.000 1.660E+03 REV/ 7.026E+08 0.564 3.320E+04 / TC4H9O + O2<=>IC4H8O+HO2 8.100E+11 0.000 4.700E+03 REV/ 1.000E+11 0.000 3.200E+04 / IC4H8O<=>IC3H7CHO 4.180E+13 0.000 5.272E+04 REV/ 1.392E+10 0.550 7.205E+04 / IC4H8O + OH<=>IC3H6CHO+H2O 1.250E+12 0.000 0.000E+00 REV/ 9.609E+05 1.069 3.656E+04 / IC4H8O+H<=>IC3H6CHO+H2 1.250E+12 0.000 0.000E+00 REV/ 9.063E+04 1.175 2.167E+04 / IC4H8O+HO2<=>IC3H6CHO+H2O2 2.500E+12 0.000 1.500E+04 REV/ 1.049E+08 0.480 2.066E+04 / IC4H8O+CH3O2<=>IC3H6CHO+CH3O2H 2.500E+12 0.000 1.900E+04 REV/ 2.040E+09 0.036 2.307E+04 / IC4H8O+CH3<=>IC3H6CHO+CH4 5.000E+10 0.000 1.000E+04 REV/ 3.307E+06 0.729 3.321E+04 / IC4H8O+O<=>IC3H6CHO + OH 1.250E+12 0.000 0.000E+00 REV/ 4.704E+04 1.156 2.025E+04 / IC3H7CHO<=>TC3H6CHO+H 2.304E+18 -0.910 9.200E+04 REV/ 2.000E+14 0.000 0.000E+00 / IC3H7CHO<=>IC3H7+HCO 1.129E+17 -0.030 7.976E+04 REV/ 1.810E+13 0.000 0.000E+00 / IC3H7CHO+HO2<=>IC3H7CO+H2O2 3.000E+12 0.000 1.192E+04 REV/ 7.987E+11 -0.062 1.036E+04 / IC3H7CHO+HO2<=>TC3H6CHO+H2O2 8.000E+10 0.000 1.192E+04 REV/ 3.366E+12 -0.420 1.105E+04 / IC3H7CHO+CH3<=>IC3H7CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 2.325E+13 -0.060 2.563E+04 / IC3H7CHO+O<=>IC3H7CO + OH 7.180E+12 0.000 1.389E+03 REV/ 7.052E+11 -0.060 1.574E+04 / IC3H7CHO + O2<=>IC3H7CO+HO2 4.000E+13 0.000 3.760E+04 REV/ 1.625E+11 0.270 -3.432E+03 / IC3H7CHO + OH<=>IC3H7CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 1.164E+10 0.750 3.120E+04 / IC3H7CHO + OH<=>TC3H6CHO+H2O 1.684E+12 0.000 -7.810E+02 REV/ 1.194E+13 -0.090 2.981E+04 / IC3H7CHO+H<=>IC3H7CO+H2 2.600E+12 0.000 2.600E+03 REV/ 1.196E+09 0.633 1.704E+04 / IC3H7CHO + OH<=>IC3H6CHO+H2O 3.120E+06 2.000 -2.980E+02 REV/ 6.388E+05 1.990 1.913E+04 / IC3H7CHO+HO2<=>IC3H6CHO+H2O2 2.740E+04 2.550 1.550E+04 REV/ 3.330E+04 2.210 3.468E+03 / IC3H7CHO+CH3O2<=>IC3H6CHO+CH3O2H 4.760E+04 2.550 1.649E+04 REV/ 2.377E+05 2.040 3.742E+03 / IC3H7CO<=>IC3H7+CO 2.869E+20 -2.194 1.497E+04 REV/ 1.500E+11 0.000 4.810E+03 / IC3H6CHO<=>C3H6+HCO 1.031E+15 -0.620 2.317E+04 REV/ 1.000E+11 0.000 7.800E+03 / IC3H6CHO<=>C2H3CHO+CH3 2.425E+13 -0.270 2.247E+04 REV/ 1.000E+11 0.000 7.800E+03 / IC4H8OH<=>IC4H8 + OH 9.232E+14 -0.562 2.805E+04 REV/ 9.930E+11 0.000 -9.600E+02 / IO2C4H8OH<=>IC4H8OH + O2 1.917E+21 -2.347 3.579E+04 REV/ 1.200E+11 0.000 -1.100E+03 / IO2C4H8OH<=>CH3COCH3+CH2O + OH 1.250E+10 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4H9O2<=>IC4H8O2H-I 7.500E+10 0.000 2.400E+04 REV/ 1.815E+11 -0.507 8.946E+03 / TC4H9O2<=>TC4H8O2H-I 9.000E+11 0.000 3.450E+04 REV/ 2.027E+09 0.123 1.694E+04 / IC4H9O2<=>IC4H8O2H-T 1.000E+11 0.000 2.920E+04 REV/ 5.085E+06 0.780 1.588E+04 / IC4H9O2<=>IC4H8+HO2 2.265E+35 -7.220 3.949E+04 REV/ 2.996E+26 -5.331 2.124E+04 / TC4H9O2<=>IC4H8+HO2 7.612E+42 -9.410 4.149E+04 REV/ 6.344E+31 -7.203 1.716E+04 / IC4H8OOH-IO2<=>IC4H8O2H-I + O2 1.440E+20 -1.627 3.569E+04 REV/ 2.260E+12 0.000 0.000E+00 / TC4H8OOH-IO2<=>TC4H8O2H-I + O2 5.167E+22 -2.257 3.780E+04 REV/ 2.260E+12 0.000 0.000E+00 / IC4H8OOH-TO2<=>IC4H8O2H-T + O2 2.266E+27 -3.233 3.964E+04 REV/ 1.410E+13 0.000 0.000E+00 / IC4H8OOH-IO2<=>IC4KETII + OH 5.000E+10 0.000 2.100E+04 REV/ 1.986E+03 1.455 4.442E+04 / IC4H8OOH-TO2<=>IC4KETIT + OH 4.000E+11 0.000 3.150E+04 REV/ 1.910E+05 1.240 5.383E+04 / TC4H8OOH-IO2<=>TIC4H7Q2-I 7.500E+10 0.000 2.400E+04 REV/ 6.360E+08 0.091 1.172E+04 / TIC4H7Q2-I<=>IC4H7OOH+HO2 1.940E+20 -2.190 2.259E+04 REV/ 1.000E+11 0.000 1.060E+04 / IC4H8OOH-IO2<=>IIC4H7Q2-I 3.750E+10 0.000 2.400E+04 REV/ 8.986E+08 -0.088 1.190E+04 / IC4H8OOH-IO2<=>IIC4H7Q2-T 1.000E+11 0.000 2.920E+04 REV/ 9.448E+07 0.406 2.120E+04 / IC4H8OOH-TO2<=>TIC4H7Q2-I 6.000E+11 0.000 3.450E+04 REV/ 5.088E+09 0.091 2.182E+04 / IIC4H7Q2-I<=>AC3H5OOH+CH2O2H 7.631E+19 -1.740 3.831E+04 REV/ 8.500E+10 0.000 1.060E+04 / IIC4H7Q2-T<=>IC4H7OOH+HO2 4.076E+17 -1.560 1.839E+04 REV/ 1.000E+11 0.000 7.800E+03 / CH2O2H<=>CH2O + OH 9.000E+14 0.000 1.500E+03 REV/ 1.869E+11 1.100 3.684E+04 / IC4KETII<=>CH2O+C2H5CO + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4KETIT<=>CH3COCH3+HCO + OH 9.500E+15 0.000 4.254E+04 REV/ 0.000E+00 0.000 0.000E+00 / TC4H8O2H-I<=>IC4H8+HO2 1.073E+20 -2.085 1.939E+04 REV/ 3.970E+11 0.000 1.262E+04 / IC4H8O2H-T<=>IC4H8+HO2 1.526E+16 -1.109 1.756E+04 REV/ 3.970E+11 0.000 1.262E+04 / IC4H8O2H-I<=>CC4H8O + OH 2.000E+11 0.000 1.950E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4H8O2H-T<=>IC4H8O + OH 1.380E+12 0.000 1.480E+04 REV/ 0.000E+00 0.000 0.000E+00 / TC4H8O2H-I<=>IC4H8O + OH 4.000E+12 0.000 1.700E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4H8O2H-I<=>OH+CH2O+C3H6 8.451E+15 -0.680 2.917E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4H8<=>C3H5-T+CH3 1.920E+66 -14.220 1.281E+05 REV/ 1.561E+56 -12.293 2.610E+04 / IC4H8<=>IC4H7+H 3.070E+55 -11.490 1.143E+05 REV/ 1.428E+55 -11.738 2.600E+04 / IC4H8+H<=>C3H6+CH3 5.680E+33 -5.720 2.000E+04 REV/ 6.093E+26 -4.209 2.720E+04 / IC4H8+H<=>IC4H7+H2 3.400E+05 2.500 2.492E+03 REV/ 6.320E+04 2.528 1.816E+04 / IC4H8+O<=>CH2CO+CH3+CH3 3.330E+07 1.760 7.600E+01 REV/ 0.000E+00 0.000 0.000E+00 / IC4H8+O=>IC3H6CO+H+H 1.660E+07 1.760 7.600E+01 ! WJP: 2 STEP RXN IN ONE STEP=> ZERO REVERSE RATE. !REV/ 0.000E+00 0.000 0.000E+00 / IC4H8+O<=>IC4H7 + OH 1.206E+11 0.700 7.633E+03 REV/ 1.164E+10 0.709 2.189E+04 / IC4H8+CH3<=>IC4H7+CH4 4.420E+00 3.500 5.675E+03 REV/ 7.495E+02 3.082 2.289E+04 / IC4H8+HO2<=>IC4H7+H2O2 1.928E+04 2.600 1.391E+04 REV/ 2.073E+06 1.933 1.358E+04 / IC4H8 + O2CHO<=>IC4H7+HO2CHO 1.928E+04 2.600 1.391E+04 REV/ 6.514E-07 4.900 -3.468E+03 / IC4H8 + O2<=>IC4H7+HO2 6.000E+12 0.000 3.990E+04 REV/ 5.848E+12 -0.320 8.830E+02 / IC4H8+C3H5-A<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 4.400E+20 -1.330 6.061E+04 / IC4H8+C3H5-S<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.592E+20 -1.270 8.217E+04 / IC4H8+C3H5-T<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.592E+20 -1.270 8.017E+04 / IC4H8 + OH<=>IC4H7+H2O 5.200E+06 2.000 -2.980E+02 REV/ 1.025E+07 1.922 3.027E+04 / IC4H8+O<=>IC3H7+HCO 1.580E+07 1.760 -1.216E+03 REV/ 4.538E+00 3.060 2.169E+04 / IC4H8+CH3O2<=>IC4H7+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 4.034E+07 1.488 1.199E+04 / IC4H8+HO2<=>IC4H8O + OH 1.290E+12 0.000 1.334E+04 REV/ 1.000E+12 0.000 7.500E+03 / IC4H7 + O2<=>IC3H5CHO + OH 2.470E+13 -0.450 2.302E+04 REV/ 3.372E+13 -0.577 7.301E+04 / IC4H7 + O2<=>CH3COCH2+CH2O 7.140E+15 -1.210 2.105E+04 REV/ 1.700E+12 -0.407 8.825E+04 / IC4H7 + O2<=>C3H4-A+CH2O + OH 7.290E+29 -5.710 2.145E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC4H7+O<=>IC3H5CHO+H 6.030E+13 0.000 0.000E+00 REV/ 2.844E+16 -0.519 6.673E+04 / IC4H7<=>C3H4-A+CH3 1.230E+47 -9.740 7.426E+04 REV/ 1.649E+38 -7.768 2.254E+04 / CH3O2+IC4H7<=>CH3O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 2.138E+11 0.349 1.506E+04 / IC4H7+HO2<=>IC4H7O + OH 7.000E+12 0.000 -1.000E+03 REV/ 3.418E+12 0.050 1.082E+04 / IC4H7O<=>C3H5-T+CH2O 2.925E+21 -2.391 3.559E+04 REV/ 1.000E+11 0.000 1.260E+04 / IC4H7O<=>IC4H6OH 1.391E+11 0.000 1.560E+04 REV/ 4.233E+11 -0.164 3.167E+04 / IC4H7O<=>IC3H5CHO+H 5.000E+13 0.000 2.910E+04 REV/ 6.670E+13 -0.105 1.841E+04 / IC4H6OH+H2<=>IC4H7OH+H 2.160E+04 2.380 1.899E+04 REV/ 5.614E+02 2.980 1.399E+03 / IC4H6OH+HO2<=>IC4H7OH + O2 5.570E+13 -0.315 8.620E+02 REV/ 6.000E+13 0.000 3.990E+04 / IC4H6OH+CH2O<=>IC4H7OH+HCO 6.300E+08 1.900 1.819E+04 REV/ 2.101E+07 2.153 1.773E+04 / IC4H6OH+IC4H8<=>IC4H7OH+IC4H7 4.700E+02 3.300 1.984E+04 REV/ 2.814E-01 3.900 6.521E+03 / IC4H7OH<=>IC4H6OH+H 4.902E+16 -0.400 8.985E+04 REV/ 1.000E+14 0.000 0.000E+00 / IC4H7OH+HO2<=>IC4H6OH+H2O2 7.644E+03 2.712 1.393E+04 REV/ 7.830E+05 2.050 1.358E+04 / IC4H6OH<=>C3H4-A+CH2OH 7.244E+19 -1.859 5.705E+04 REV/ 1.000E+11 0.000 9.200E+03 / IC4H7O + O2<=>IC3H5CHO+HO2 3.000E+10 0.000 1.649E+03 REV/ 6.312E+10 -0.140 3.898E+04 / IC4H7O+HO2<=>IC3H5CHO+H2O2 3.000E+11 0.000 0.000E+00 REV/ 8.930E+14 -0.800 7.850E+04 / IC4H7O+CH3<=>IC3H5CHO+CH4 2.400E+13 0.000 0.000E+00 REV/ 7.261E+16 -0.470 9.529E+04 / IC4H7O+O<=>IC3H5CHO + OH 6.000E+12 0.000 0.000E+00 REV/ 3.052E+14 -0.470 9.272E+04 / IC4H7O + OH<=>IC3H5CHO+H2O 1.810E+13 0.000 0.000E+00 REV/ 9.076E+15 -0.470 1.100E+05 / IC4H7O+H<=>IC3H5CHO+H2 1.990E+13 0.000 0.000E+00 REV/ 2.305E+15 -0.470 9.481E+04 / IC3H5CHO + OH<=>IC3H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 4.400E+10 0.780 3.608E+04 / IC3H5CHO+HO2<=>IC3H5CO+H2O2 1.000E+12 0.000 1.192E+04 REV/ 9.709E+12 -0.310 1.688E+04 / IC3H5CHO+CH3<=>IC3H5CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 3.928E+13 0.020 3.045E+04 / IC3H5CHO+O<=>IC3H5CO + OH 7.180E+12 0.000 1.389E+03 REV/ 1.191E+12 0.020 2.056E+04 / IC3H5CHO + O2<=>IC3H5CO+HO2 2.000E+13 0.000 4.070E+04 REV/ 1.824E+11 0.311 5.337E+03 / IC3H5CHO+H<=>IC3H5CO+H2 2.600E+12 0.000 2.600E+03 REV/ 9.822E+11 0.020 2.387E+04 / IC3H5CO<=>C3H5-T+CO 1.278E+20 -1.890 3.446E+04 REV/ 1.510E+11 0.000 4.809E+03 / TC3H6CHO+HO2<=>TC3H6OCHO + OH 9.640E+12 0.000 0.000E+00 REV/ 2.018E+17 -1.200 2.101E+04 / TC3H6OCHO<=>CH3COCH3+HCO 3.980E+13 0.000 9.700E+03 REV/ 2.173E+08 0.800 1.424E+04 / TC3H6CHO<=>IC3H5CHO+H 1.325E+14 0.010 3.934E+04 REV/ 1.300E+13 0.000 1.200E+03 / TC3H6CHO<=>IC3H6CO+H 4.086E+14 -0.072 4.241E+04 REV/ 1.300E+13 0.000 4.800E+03 / TC3H6CHO+H2<=>IC3H7CHO+H 2.160E+05 2.380 1.899E+04 REV/ 1.319E+05 2.470 3.550E+03 / IC4H7OOH<=>IC4H7O + OH 6.400E+15 0.000 4.555E+04 REV/ 1.000E+11 0.000 0.000E+00 / IC4H7OH<=>IC4H7O+H 5.969E+16 -0.560 1.059E+05 REV/ 4.000E+13 0.000 0.000E+00 / IC4H8OH<=>IC4H7OH+H 1.708E+12 0.277 3.885E+04 REV/ 1.000E+13 0.000 1.200E+03 / IC4H7O+H2<=>IC4H7OH+H 9.050E+06 2.000 1.783E+04 REV/ 7.160E+05 2.440 1.631E+04 / IC4H7OH<=>IC4H7 + OH 7.310E+16 -0.410 7.970E+04 REV/ 3.000E+13 0.000 0.000E+00 / IC4H7O+CH2O<=>IC4H7OH+HCO 1.150E+11 0.000 1.280E+03 REV/ 3.020E+11 0.000 1.816E+04 / TC3H6CHO+CH2O<=>IC3H7CHO+HCO 2.520E+08 1.900 1.819E+04 REV/ 1.229E+07 1.990 1.742E+04 / TC3H6CHO+IC4H8<=>IC3H7CHO+IC4H7 4.700E+02 3.300 1.984E+04 REV/ 6.613E+00 3.390 8.672E+03 / IC3H6CO + OH<=>IC3H7+CO2 1.730E+12 0.000 -1.010E+03 REV/ 2.577E+14 -0.430 5.548E+04 / TC3H6OHCHO<=>TC3H6CHO + OH 9.990E+20 -1.460 8.748E+04 REV/ 5.000E+13 0.000 0.000E+00 / TC3H6OHCHO<=>TC3H6OH+HCO 5.164E+23 -1.900 7.685E+04 REV/ 1.810E+13 0.000 0.000E+00 / TC3H6OH<=>CH3COCH3+H 5.000E+13 0.000 2.186E+04 REV/ 1.000E+12 0.000 0.000E+00 / TC3H6OH<=>IC3H5OH+H 6.196E+15 -0.660 4.034E+04 REV/ 1.300E+13 0.000 1.560E+03 / IC3H5OH<=>C3H5-T + OH 7.369E+19 -0.940 1.091E+05 REV/ 5.000E+13 0.000 0.000E+00 / TC3H6O2CHO<=>TC3H6CHO + O2 2.458E+25 -4.065 2.708E+04 REV/ 1.990E+17 -2.100 0.000E+00 / TC3H6O2CHO<=>IC3H5O2HCHO 6.000E+11 0.000 2.988E+04 REV/ 3.014E+12 -0.516 1.711E+04 / TC3H6O2CHO<=>TC3H6O2HCO 1.000E+11 0.000 2.575E+04 REV/ 1.628E+12 -0.516 2.510E+04 / IC3H5O2HCHO<=>IC3H5CHO+HO2 8.944E+20 -2.440 1.503E+04 REV/ 2.230E+11 0.000 1.060E+04 / TC3H6O2HCO<=>CH3COCH3+CO + OH 4.244E+18 -1.430 4.800E+03 REV/ 0.000E+00 0.000 0.000E+00 / TC3H6OH + O2<=>CH3COCH3+HO2 2.230E+13 0.000 0.000E+00 REV/ 6.529E+17 -1.190 2.561E+04 / IC3H6CO + OH<=>TC3H6OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 1.009E+09 0.900 3.154E+04 / TC3H6CHO + O2<=>IC3H5CHO+HO2 2.725E-19 0.000 7.240E+03 REV/ 1.390E+11 -0.200 1.731E+04 / TC3H6CHO + O2<=>CH3COCH3+CO + OH 3.620E-20 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / TC3H6CHO+HO2<=>IC3H7CHO + O2 3.675E+12 0.000 1.310E+03 REV/ 1.236E+14 -0.240 4.335E+04 / TC3H6CHO+CH3<=>IC3H5CHO+CH4 3.010E+12 -0.320 -1.310E+02 REV/ 2.207E+15 -0.850 6.790E+04 / TC4H8CHO<=>IC3H5CHO+CH3 1.000E+13 0.000 2.629E+04 REV/ 2.230E+11 0.000 1.060E+04 / TC4H8CHO<=>IC4H8+HCO 8.520E+12 0.000 2.009E+04 REV/ 1.000E+11 0.000 6.000E+03 / O2C4H8CHO<=>TC4H8CHO + O2 1.519E+19 -1.440 3.451E+04 REV/ 2.000E+12 0.000 0.000E+00 / O2C4H8CHO<=>O2HC4H8CO 2.160E+11 0.000 1.536E+04 REV/ 1.173E+13 -0.680 1.488E+04 / O2HC4H8CO<=>IC4H8O2H-T+CO 3.299E+22 -2.720 1.176E+04 REV/ 1.500E+11 0.000 4.809E+03 / IC4H7O+IC4H8<=>IC4H7OH+IC4H7 2.700E+11 0.000 4.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / IC4H6OH+HO2<=>CH2CCH2OH+CH2O + OH 1.446E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / IC4H8+CH2CCH2OH<=>IC4H7+C3H5OH 7.940E+11 0.000 2.050E+04 REV/ 2.750E+11 -0.050 2.847E+04 / C3H5OH+HO2<=>CH2CCH2OH+H2O2 1.761E+09 0.280 2.259E+04 REV/ 3.010E+09 0.000 2.583E+03 / C3H5OH + OH<=>CH2CCH2OH+H2O 5.060E+12 0.000 5.960E+03 REV/ 1.457E+12 0.050 1.741E+04 / C3H5OH+H<=>CH2CCH2OH+H2 3.900E+05 2.500 5.821E+03 REV/ 2.594E+04 2.550 2.121E+03 / C3H5OH + O2<=>CH2CCH2OH+HO2 4.000E+13 0.000 6.069E+04 REV/ 4.833E+10 0.380 -4.920E+02 / C3H5OH+CH3<=>CH2CCH2OH+CH4 2.400E+11 0.000 8.030E+03 REV/ 4.170E+11 0.050 4.810E+03 / IC4H7OH<=>CH2CCH2OH+CH3 1.247E+20 -0.980 9.857E+04 !REV FROM THERMO ABOVE COLLISIONAL. REV/ 3.000E+13 0.000 0.000E+00 / C3H5OH<=>CH2CCH2OH+H 2.835E+19 -1.050 1.111E+05 REV/ 1.000E+14 0.000 0.000E+00 / CH2CCH2OH + O2<=>CH2OH+CO+CH2O 4.335E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / CH2CCH2OH<=>C2H2+CH2OH 2.163E+40 -8.310 4.511E+04 REV/ 1.610E+40 -8.580 2.033E+04 / CH2CCH2OH<=>C3H4-A + OH 6.697E+16 -1.110 4.258E+04 REV/ 8.500E+12 0.000 2.000E+03 / NC5H12<=>C5H11-1+H 1.375E+17 -0.360 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / NC5H12<=>C5H11-2+H 3.325E+18 -0.763 9.880E+04 REV/ 3.610E+13 0.000 0.000E+00 / NC5H12<=>C5H11-3+H 1.602E+18 -0.758 9.879E+04 REV/ 3.610E+13 0.000 0.000E+00 / NC5H12<=>CH3+PC4H9 6.101E+22 -1.862 8.943E+04 REV/ 4.000E+12 0.000 -5.960E+02 / NC5H12<=>NC3H7+C2H5 3.082E+24 -2.269 8.844E+04 REV/ 4.000E+12 0.000 -5.960E+02 / NC5H12+H<=>C5H11-1+H2 1.880E+05 2.750 6.280E+03 REV/ 1.972E+01 3.386 8.610E+03 / NC5H12+H<=>C5H11-2+H2 2.600E+06 2.400 4.471E+03 REV/ 1.128E+01 3.439 9.236E+03 / NC5H12+H<=>C5H11-3+H2 1.170E+07 2.400 4.471E+03 REV/ 1.171E+01 3.434 9.244E+03 / NC5H12 + OH<=>C5H11-1+H2O 1.054E+10 0.970 1.590E+03 REV/ 1.172E+07 1.500 1.881E+04 / NC5H12 + OH<=>C5H11-2+H2O 9.340E+07 1.610 -3.500E+01 REV/ 4.297E+03 2.543 1.962E+04 / NC5H12 + OH<=>C5H11-3+H2O 4.670E+07 1.610 -3.500E+01 REV/ 4.459E+03 2.538 1.963E+04 / NC5H12+O<=>C5H11-1 + OH 2.092E+06 2.424 4.766E+03 REV/ 1.139E+02 3.041 5.684E+03 / NC5H12+O<=>C5H11-2 + OH 1.189E+06 2.439 2.846E+03 REV/ 2.678E+00 3.459 6.199E+03 / NC5H12+O<=>C5H11-3 + OH 5.946E+05 2.439 2.846E+03 REV/ 2.779E+00 3.454 6.207E+03 / NC5H12+CH3<=>C5H11-1+CH4 9.040E-01 3.650 7.154E+03 REV/ 8.653E-02 3.840 1.102E+04 / NC5H12+CH3<=>C5H11-2+CH4 1.680E+05 2.133 7.574E+03 REV/ 6.650E+02 2.726 1.388E+04 / NC5H12+CH3<=>C5H11-3+CH4 8.400E+04 2.133 7.574E+03 REV/ 6.901E+02 2.721 1.389E+04 / NC5H12+HO2<=>C5H11-1+H2O2 4.080E+01 3.590 1.716E+04 REV/ 2.477E+00 3.531 3.490E+03 / NC5H12+HO2<=>C5H11-2+H2O2 1.264E+02 3.370 1.372E+04 REV/ 3.173E-01 3.714 2.483E+03 / NC5H12+HO2<=>C5H11-3+H2O2 6.320E+01 3.370 1.372E+04 REV/ 3.293E-01 3.709 2.491E+03 / NC5H12+CH3O2<=>C5H11-1+CH3O2H 4.080E+01 3.590 1.716E+04 REV/ 4.818E+01 3.086 1.895E+03 / NC5H12+CH3O2<=>C5H11-2+CH3O2H 1.264E+02 3.370 1.372E+04 REV/ 6.173E+00 3.269 8.880E+02 / NC5H12+CH3O2<=>C5H11-3+CH3O2H 6.320E+01 3.370 1.372E+04 REV/ 6.406E+00 3.264 8.960E+02 / NC5H12+C2H5<=>C5H11-1+C2H6 1.000E+11 0.000 1.340E+04 REV/ 3.200E+11 0.000 1.230E+04 / NC5H12+C2H5<=>C5H11-2+C2H6 1.000E+11 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / NC5H12+C2H5<=>C5H11-3+C2H6 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / NC5H12+C2H3<=>C5H11-1+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.600E+12 0.000 2.540E+04 / NC5H12+C2H3<=>C5H11-2+C2H4 8.000E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / NC5H12+C2H3<=>C5H11-3+C2H4 4.000E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / NC5H12+C5H11-1<=>C5H11-2+NC5H12 1.000E+11 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / NC5H12+C5H11-1<=>C5H11-3+NC5H12 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / NC5H12+C5H11-2<=>C5H11-3+NC5H12 5.000E+10 0.000 1.230E+04 REV/ 1.000E+11 0.000 1.230E+04 / NC5H12 + O2CHO<=>C5H11-1+HO2CHO 1.680E+13 0.000 2.044E+04 REV/ 1.368E+00 3.110 2.295E+03 / NC5H12 + O2CHO<=>C5H11-2+HO2CHO 1.120E+13 0.000 1.769E+04 REV/ 4.306E+03 2.130 4.147E+03 / NC5H12 + O2CHO<=>C5H11-3+HO2CHO 5.600E+12 0.000 1.769E+04 REV/ 4.318E+03 2.130 4.149E+03 / NC5H12+CH3O<=>C5H11-1+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / NC5H12+CH3O<=>C5H11-2+CH3OH 2.200E+11 0.000 5.000E+03 REV/ 9.000E+09 0.000 7.200E+03 / NC5H12+CH3O<=>C5H11-3+CH3OH 1.100E+11 0.000 5.000E+03 REV/ 9.000E+09 0.000 7.200E+03 / NC5H12 + O2<=>C5H11-1+HO2 4.200E+13 0.000 5.280E+04 REV/ 2.311E+10 0.288 4.460E+02 / NC5H12 + O2<=>C5H11-2+HO2 2.800E+13 0.000 5.016E+04 REV/ 6.370E+08 0.691 2.310E+02 / NC5H12 + O2<=>C5H11-3+HO2 1.400E+13 0.000 5.016E+04 REV/ 6.611E+08 0.686 2.390E+02 / C5H11-1<=>C2H4+NC3H7 3.205E+12 0.451 2.943E+04 REV/ 8.800E+03 2.480 6.130E+03 / C5H11-1<=>H+C5H10-1 3.354E+11 0.608 3.564E+04 REV/ 2.500E+11 0.510 2.620E+03 / C5H11-1<=>C5H11-2 3.875E+09 0.353 1.976E+04 REV/ 1.602E+08 0.756 2.220E+04 / C5H11-2<=>C3H6+C2H5 1.223E+12 0.635 2.936E+04 REV/ 8.800E+03 2.480 6.130E+03 / C5H11-2<=>C5H10-1+H 2.353E+10 1.011 3.668E+04 REV/ 4.240E+11 0.510 1.230E+03 / C5H11-2<=>C5H10-2+H 3.988E+11 0.410 3.522E+04 REV/ 2.500E+11 0.510 2.620E+03 / C5H11-3<=>C4H8-1+CH3 6.343E+10 1.119 3.046E+04 REV/ 1.760E+04 2.480 6.130E+03 / C5H11-3<=>C5H10-2+H 8.277E+11 0.405 3.523E+04 REV/ 2.500E+11 0.510 2.620E+03 / C5H10-1<=>C2H5+C3H5-A 9.864E+21 -2.086 7.506E+04 REV/ 4.000E+12 0.000 -5.960E+02 / C5H10-1+H<=>C5H91-3+H2 3.376E+05 2.360 2.070E+02 REV/ 3.096E+05 2.530 2.032E+04 / C5H10-1+H<=>C5H91-4+H2 1.170E+07 2.400 4.471E+03 REV/ 2.777E+02 3.170 1.124E+04 / C5H10-1+H<=>C5H91-5+H2 6.650E+05 2.540 6.756E+03 REV/ 2.193E+03 2.960 1.102E+04 / C5H10-1+O<=>C5H91-3 + OH 6.600E+05 2.430 1.210E+03 REV/ 2.658E+05 2.600 1.923E+04 / C5H10-1+O<=>C5H91-4 + OH 5.510E+05 2.450 2.830E+03 REV/ 5.169E+01 3.220 7.505E+03 / C5H10-1+O<=>C5H91-5 + OH 9.800E+05 2.430 4.750E+03 REV/ 1.419E+03 2.850 6.915E+03 / C5H10-1 + OH<=>C5H91-3+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.097E+05 2.810 3.335E+04 / C5H10-1 + OH<=>C5H91-4+H2O 4.670E+07 1.610 -3.500E+01 REV/ 4.319E+04 2.380 2.189E+04 / C5H10-1 + OH<=>C5H91-5+H2O 5.270E+09 0.970 1.586E+03 REV/ 7.524E+07 1.390 2.100E+04 / C5H10-1+CH3<=>C5H91-3+CH4 3.690E+00 3.310 4.002E+03 REV/ 8.840E+01 3.480 2.459E+04 / C5H10-1+CH3<=>C5H91-4+CH4 1.360E+01 3.460 5.481E+03 REV/ 8.426E-03 4.230 1.273E+04 / C5H10-1+CH3<=>C5H91-5+CH4 4.521E-01 3.650 7.154E+03 REV/ 3.895E-02 4.070 1.189E+04 / C5H10-1 + O2<=>C5H91-3+HO2 2.200E+12 0.000 3.722E+04 REV/ 3.665E+10 0.490 -1.520E+02 / C5H10-1 + O2<=>C5H91-4+HO2 2.000E+13 0.000 4.964E+04 REV/ 7.760E+07 1.090 -1.072E+03 / C5H10-1 + O2<=>C5H91-5+HO2 3.000E+13 0.000 5.229E+04 REV/ 1.797E+09 0.750 -9.320E+02 / C5H10-1+HO2<=>C5H91-3+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.136E+05 2.390 1.433E+04 / C5H10-1+HO2<=>C5H91-4+H2O2 9.640E+03 2.600 1.391E+04 REV/ 5.292E+01 3.040 4.372E+03 / C5H10-1+HO2<=>C5H91-5+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.017E+03 2.640 4.446E+03 / C5H10-1+CH3O2<=>C5H91-3+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 2.366E+05 2.210 1.131E+04 / C5H10-1+CH3O2<=>C5H91-4+CH3O2H 9.640E+03 2.600 1.391E+04 REV/ 1.102E+02 2.860 1.352E+03 / C5H10-1+CH3O2<=>C5H91-5+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 4.200E+03 2.470 1.426E+03 / C5H10-1+CH3O<=>C5H91-3+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 1.769E+01 3.090 2.699E+04 / C5H10-1+CH3O<=>C5H91-4+CH3OH 1.450E+11 0.000 4.571E+03 REV/ 1.493E+07 0.790 9.611E+03 / C5H10-1+CH3O<=>C5H91-5+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 3.450E+08 0.450 8.988E+03 / C5H10-2+H<=>C5H91-3+H2 1.730E+05 2.500 2.492E+03 REV/ 4.561E+06 2.060 1.975E+04 / C5H10-2+H<=>C5H92-4+H2 3.376E+05 2.360 2.070E+02 REV/ 4.361E+06 2.100 2.033E+04 / C5H10-2+H<=>C5H92-5+H2 6.651E+05 2.540 6.756E+03 REV/ 3.085E+04 2.540 1.103E+04 / C5H10-2+O<=>C5H91-3 + OH 4.410E+05 2.420 3.150E+03 REV/ 5.107E+06 1.980 1.831E+04 / C5H10-2+O<=>C5H92-4 + OH 9.900E+05 2.430 1.210E+03 REV/ 5.617E+06 2.170 1.924E+04 / C5H10-2+O<=>C5H92-5 + OH 9.800E+05 2.430 4.750E+03 REV/ 1.996E+04 2.420 6.931E+03 / C5H10-2 + OH<=>C5H91-3+H2O 3.120E+06 2.000 -2.980E+02 REV/ 3.562E+08 1.560 3.211E+04 / C5H10-2 + OH<=>C5H92-4+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.546E+06 2.380 3.336E+04 / C5H10-2 + OH<=>C5H92-5+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.058E+09 0.960 2.102E+04 / C5H10-2+CH3<=>C5H91-3+CH4 2.210E+00 3.500 5.675E+03 REV/ 1.522E+03 3.060 2.341E+04 / C5H10-2+CH3<=>C5H92-4+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.245E+03 3.050 2.461E+04 / C5H10-2+CH3<=>C5H92-5+CH4 4.521E-01 3.650 7.154E+03 REV/ 5.478E-01 3.640 1.191E+04 / C5H10-2 + O2<=>C5H91-3+HO2 3.300E+12 0.000 3.990E+04 REV/ 1.581E+12 -0.110 -3.260E+02 / C5H10-2 + O2<=>C5H92-4+HO2 2.200E+12 0.000 3.722E+04 REV/ 5.163E+11 0.070 -1.360E+02 / C5H10-2 + O2<=>C5H92-5+HO2 3.000E+13 0.000 5.229E+04 REV/ 2.528E+10 0.320 -9.160E+02 / C5H10-2+HO2<=>C5H91-3+H2O2 9.639E+03 2.600 1.391E+04 REV/ 6.532E+06 1.840 1.486E+04 / C5H10-2+HO2<=>C5H92-4+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.600E+06 1.960 1.435E+04 / C5H10-2+HO2<=>C5H92-5+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.837E+04 2.220 4.462E+03 / C5H10-2+CH3O2<=>C5H91-3+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 1.360E+07 1.660 1.184E+04 / C5H10-2+CH3O2<=>C5H92-4+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.332E+06 1.790 1.133E+04 / C5H10-2+CH3O2<=>C5H92-5+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 5.908E+04 2.040 1.442E+03 / C5H10-2+CH3O<=>C5H91-3+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.144E+03 2.540 2.751E+04 / C5H10-2+CH3O<=>C5H92-4+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.491E+02 2.670 2.701E+04 / C5H10-2+CH3O<=>C5H92-5+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 4.853E+09 0.020 9.004E+03 / C5H91-3+HO2<=>C5H9O1-3 + OH 9.640E+12 0.000 0.000E+00 REV/ 6.088E+15 -1.070 1.572E+04 / C5H91-3+CH3O2<=>C5H9O1-3+CH3O 9.640E+12 0.000 0.000E+00 REV/ 5.946E+17 -1.650 2.048E+04 / C5H91-3+C2H5O2<=>C5H9O1-3+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 3.893E+14 -0.720 1.833E+04 / C5H92-4+HO2<=>C5H9O2-4 + OH 9.640E+12 0.000 0.000E+00 REV/ 7.027E+15 -1.240 1.589E+04 / C5H92-4+CH3O2<=>C5H9O2-4+CH3O 9.640E+12 0.000 0.000E+00 REV/ 6.863E+17 -1.820 2.065E+04 / C5H92-4+C2H5O2<=>C5H9O2-4+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 4.493E+14 -0.890 1.849E+04 / C5H91-3<=>C4H6+CH3 7.554E+14 -0.520 3.852E+04 REV/ 1.000E+11 0.000 7.800E+03 / C5H91-3<=>C5H81-3+H 4.733E+11 0.636 4.264E+04 REV/ 2.500E+11 0.510 2.620E+03 / C5H91-4<=>C3H6+C2H3 5.814E+11 0.170 3.585E+04 REV/ 1.000E+11 0.000 7.800E+03 / C5H91-5<=>C2H4+C3H5-A 7.157E+16 -1.420 1.775E+04 REV/ 1.000E+11 0.000 7.800E+03 / C5H92-4<=>C5H81-3+H 2.015E+15 -0.340 4.603E+04 REV/ 1.000E+13 0.000 1.200E+03 / C5H92-5<=>C2H4+C3H5-S 8.899E+16 -1.180 4.218E+04 REV/ 2.000E+11 0.000 7.800E+03 / C5H9O1-3<=>C2H3CHO+C2H5 3.131E+19 -1.850 1.067E+04 REV/ 1.000E+11 0.000 9.600E+03 / C5H9O1-3<=>C2H5CHO+C2H3 1.417E+18 -1.560 2.334E+04 REV/ 1.000E+11 0.000 9.600E+03 / C5H81-3 + OH<=>CH2O+C4H71-3 1.000E+12 0.000 0.000E+00 REV/ 1.000E+11 0.000 1.500E+04 / C5H81-3 + OH<=>C2H3CHO+C2H5 1.000E+12 0.000 0.000E+00 REV/ 1.000E+11 0.000 1.500E+04 / C5H81-3 + OH<=>CH3CHO+C3H5-S 1.000E+12 0.000 0.000E+00 REV/ 1.000E+11 0.000 1.500E+04 / C5H9O2-4<=>SC3H5CHO+CH3 5.983E+15 -1.130 9.941E+03 REV/ 1.000E+11 0.000 9.600E+03 / C5H9O2-4<=>CH3CHO+C3H5-S 1.073E+22 -2.660 2.965E+04 REV/ 1.000E+11 0.000 9.600E+03 / C5H10-2<=>CH3+C4H71-3 6.486E+19 -1.367 7.632E+04 REV/ 8.000E+12 0.000 -5.960E+02 / C5H11-1 + O2<=>C5H10-1+HO2 8.370E-01 3.590 1.196E+04 REV/ 1.307E+00 3.420 2.781E+04 / C5H11-2 + O2<=>C5H10-1+HO2 5.350E-01 3.710 9.322E+03 REV/ 2.021E+01 3.137 2.274E+04 / C5H11-2 + O2<=>C5H10-2+HO2 1.070E+00 3.710 9.322E+03 REV/ 1.406E+00 3.738 2.559E+04 / C5H11-3 + O2<=>C5H10-2+HO2 2.140E+00 3.710 9.322E+03 REV/ 1.355E+00 3.743 2.558E+04 / C5H11-1+HO2<=>C5H11O-1 + OH 9.000E+12 0.000 -1.000E+03 REV/ 1.944E+15 -0.479 2.621E+04 / C5H11-2+HO2<=>C5H11O-2 + OH 9.000E+12 0.000 -1.000E+03 REV/ 3.143E+17 -1.132 2.822E+04 / C5H11-3+HO2<=>C5H11O-3 + OH 9.000E+12 0.000 -1.000E+03 REV/ 3.019E+17 -1.127 2.821E+04 / C5H11-1+CH3O2<=>C5H11O-1+CH3O 9.000E+12 0.000 -1.000E+03 REV/ 1.216E+14 -0.180 3.045E+04 / C5H11-2+CH3O2<=>C5H11O-2+CH3O 9.000E+12 0.000 -1.000E+03 REV/ 1.966E+16 -0.833 3.246E+04 / C5H11-3+CH3O2<=>C5H11O-3+CH3O 9.000E+12 0.000 -1.000E+03 REV/ 1.889E+16 -0.828 3.245E+04 / C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-1 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-1 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-1 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-2 8.064E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-2 8.064E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-2 8.064E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-3 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-3 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-3 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / C5H11-1+C5H11O2-1<=>C5H11O-1+C5H11O-1 9.000E+12 0.000 -1.000E+03 REV/ 5.940E+13 -0.130 2.991E+04 / C5H11-1+C5H11O2-2<=>C5H11O-1+C5H11O-2 9.000E+12 0.000 -1.000E+03 REV/ 5.285E+13 -0.116 2.960E+04 / C5H11-1+C5H11O2-3<=>C5H11O-1+C5H11O-3 9.000E+12 0.000 -1.000E+03 REV/ 1.053E+14 -0.116 2.960E+04 / C5H11-2+C5H11O2-1<=>C5H11O-2+C5H11O-1 9.000E+12 0.000 -1.000E+03 REV/ 9.604E+15 -0.783 3.192E+04 / C5H11-2+C5H11O2-2<=>C5H11O-2+C5H11O-2 9.000E+12 0.000 -1.000E+03 REV/ 8.544E+15 -0.769 3.162E+04 / C5H11-2+C5H11O2-3<=>C5H11O-2+C5H11O-3 9.000E+12 0.000 -1.000E+03 REV/ 1.703E+16 -0.769 3.162E+04 / C5H11-3+C5H11O2-1<=>C5H11O-3+C5H11O-1 9.000E+12 0.000 -1.000E+03 REV/ 9.225E+15 -0.778 3.192E+04 / C5H11-3+C5H11O2-2<=>C5H11O-3+C5H11O-2 9.000E+12 0.000 -1.000E+03 REV/ 8.206E+15 -0.764 3.161E+04 / C5H11-3+C5H11O2-3<=>C5H11O-3+C5H11O-3 9.000E+12 0.000 -1.000E+03 REV/ 1.636E+16 -0.764 3.161E+04 / C5H11O2-1+C5H11O2-2<=>O2+C5H11O-1+C5H11O-2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-1+C5H11O2-3<=>O2+C5H11O-1+C5H11O-3 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-1+CH3O2<=>O2+C5H11O-1+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-1+C5H11O2-1<=>O2+C5H11O-1+C5H11O-1 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / H2O2+C5H11O2-1<=>HO2+C5H11O2H-1 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / C5H11O2-1+HO2<=>C5H11O2H-1 + O2 1.750E+10 0.000 -3.275E+03 REV/ 3.746E+13 -0.791 3.362E+04 / C5H11O2-2+CH3O2<=>O2+C5H11O-2+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-2+C5H11O2-3<=>C5H11O-2+C5H11O-3 + O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-2+C5H11O2-2<=>O2+C5H11O-2+C5H11O-2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / H2O2+C5H11O2-2<=>HO2+C5H11O2H-2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / C5H11O2-2+HO2<=>C5H11O2H-2 + O2 1.750E+10 0.000 -3.275E+03 REV/ 4.380E+13 -0.812 3.364E+04 / C5H11O2-3+CH3O2<=>O2+C5H11O-3+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H11O2-3+C5H11O2-3<=>O2+C5H11O-3+C5H11O-3 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / H2O2+C5H11O2-3<=>HO2+C5H11O2H-3 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / C5H11O2-3+HO2<=>C5H11O2H-3 + O2 1.750E+10 0.000 -3.275E+03 REV/ 4.380E+13 -0.812 3.364E+04 / C5H11O2H-1<=>C5H11O-1 + OH 1.500E+16 0.000 4.250E+04 REV/ 2.927E+07 1.932 -3.022E+03 / C5H11O2H-2<=>C5H11O-2 + OH 9.450E+15 0.000 4.160E+04 REV/ 1.403E+07 1.968 -4.252E+03 / C5H11O2H-3<=>C5H11O-3 + OH 9.450E+15 0.000 4.160E+04 REV/ 2.797E+07 1.968 -4.252E+03 / C5H11O-1<=>CH2O+PC4H9 5.661E+20 -2.247 2.496E+04 REV/ 6.250E+10 0.000 1.190E+04 / C5H11O-2<=>CH3CHO+NC3H7 1.689E+22 -2.601 1.955E+04 REV/ 7.500E+10 0.000 1.190E+04 / C5H11O-3<=>C2H5+C2H5CHO 1.239E+18 -1.199 1.859E+04 REV/ 8.500E+10 0.000 1.190E+04 / C5H11O2-1<=>C5H11-1 + O2 2.338E+20 -1.620 3.583E+04 REV/ 4.520E+12 0.000 0.000E+00 / C5H11O2-2<=>C5H11-2 + O2 7.087E+22 -2.287 3.815E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H11O2-3<=>C5H11-3 + O2 3.415E+22 -2.282 3.815E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H11O2-1<=>C5H10OOH1-2 2.000E+11 0.000 2.685E+04 REV/ 2.083E+10 -0.106 1.385E+04 / C5H11O2-1<=>C5H10OOH1-3 2.500E+10 0.000 2.085E+04 REV/ 2.604E+09 -0.106 7.850E+03 / C5H11O2-1<=>C5H10OOH1-4 3.125E+09 0.000 1.865E+04 REV/ 3.255E+08 -0.106 6.050E+03 / C5H11O2-1<=>C5H10OOH1-5 5.860E+08 0.000 2.515E+04 REV/ 1.379E+09 -0.503 1.009E+04 / C5H11O2-2<=>C5H10OOH2-1 3.000E+11 0.000 2.940E+04 REV/ 7.790E+11 -0.517 1.396E+04 / C5H11O2-2<=>C5H10OOH2-3 2.000E+11 0.000 2.685E+04 REV/ 2.698E+10 -0.140 1.390E+04 / C5H11O2-2<=>C5H10OOH2-4 2.500E+10 0.000 2.085E+04 REV/ 3.372E+09 -0.140 7.900E+03 / C5H11O2-2<=>C5H10OOH2-5 4.688E+09 0.000 2.195E+04 REV/ 1.217E+10 -0.517 6.910E+03 / C5H11O2-3<=>C5H10OOH3-1 7.500E+10 0.000 2.400E+04 REV/ 1.948E+11 -0.517 8.960E+03 / C5H11O2-3<=>C5H10OOH3-2 4.000E+11 0.000 2.685E+04 REV/ 5.396E+10 -0.140 1.390E+04 / C5H11O2-1<=>C5H10-1+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.523E+31 -6.660 2.051E+04 / C5H11O2-2<=>C5H10-1+HO2 5.075E+42 -9.410 4.149E+04 REV/ 2.039E+34 -7.696 1.675E+04 / C5H11O2-2<=>C5H10-2+HO2 5.044E+38 -8.110 4.049E+04 REV/ 7.050E+28 -5.795 1.860E+04 / C5H11O2-3<=>C5H10-2+HO2 1.009E+39 -8.110 4.049E+04 REV/ 1.410E+29 -5.795 1.860E+04 / C5H10OOH1-2<=>C5H10O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH1-3<=>C5H10O1-3 + OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH1-4<=>C5H10O1-4 + OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH1-5<=>C5H10O1-5 + OH 1.172E+09 0.000 1.800E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH2-1<=>C5H10O1-2 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH2-3<=>C5H10O2-3 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH2-4<=>C5H10O2-4 + OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH2-5<=>C5H10O1-4 + OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH3-2<=>C5H10O2-3 + OH 6.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH3-1<=>C5H10O1-3 + OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-2 + OH<=>CH2CO+NC3H7+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-3 + OH<=>C2H4+C2H5CO+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-4 + OH<=>CH3COCH2+C2H4+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-5 + OH<=>CH2CH2CHO+C2H4+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-3 + OH<=>CH3CHCO+C2H5+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-4 + OH<=>CH3CO+C3H6+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-2 + OH<=>C2H3CHO+C2H5+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-3 + OH<=>HCO+C4H8-1+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-4 + OH<=>CH2CHO+C3H6+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-5 + OH<=>CH2O+C4H71-3+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-3 + OH<=>C2H3COCH3+CH3+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-4 + OH<=>CH3CHO+C3H5-S+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-2+HO2<=>CH2CO+NC3H7+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-3+HO2<=>C2H4+C2H5CO+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-4+HO2<=>CH3COCH2+C2H4+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-5+HO2<=>CH2CH2CHO+C2H4+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-3+HO2<=>CH3CHCO+C2H5+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-4+HO2<=>CH3CO+C3H6+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-2+HO2<=>C2H3CHO+C2H5+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-3+HO2<=>HCO+C4H8-1+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-4+HO2<=>CH2CHO+C3H6+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O1-5+HO2<=>CH2O+C4H71-3+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-3+HO2<=>C2H3COCH3+CH3+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10O2-4+HO2<=>CH3CHO+C3H5-S+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH1-2<=>C5H10-1+HO2 3.449E+17 -1.556 1.798E+04 REV/ 1.000E+11 0.000 1.100E+04 / C5H10OOH2-1<=>C5H10-1+HO2 6.462E+19 -2.231 2.105E+04 REV/ 1.000E+11 0.000 1.175E+04 / C5H10OOH2-3<=>C5H10-2+HO2 9.651E+19 -2.455 2.068E+04 REV/ 1.000E+11 0.000 1.175E+04 / C5H10OOH3-2<=>C5H10-2+HO2 9.651E+19 -2.455 2.068E+04 REV/ 1.000E+11 0.000 1.175E+04 / C5H10OOH1-3<=>OH+CH2O+C4H8-1 8.283E+13 -0.170 3.009E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH2-4<=>OH+CH3CHO+C3H6 8.312E+17 -1.400 2.717E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH3-1<=>OH+C2H5CHO+C2H4 3.096E+18 -1.730 2.682E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OOH1-2O2<=>C5H10OOH1-2 + O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH1-3O2<=>C5H10OOH1-3 + O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH1-4O2<=>C5H10OOH1-4 + O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH1-5O2<=>C5H10OOH1-5 + O2 2.777E+20 -1.623 3.569E+04 REV/ 4.520E+12 0.000 0.000E+00 / C5H10OOH2-1O2<=>C5H10OOH2-1 + O2 2.572E+20 -1.620 3.565E+04 REV/ 4.520E+12 0.000 0.000E+00 / C5H10OOH2-3O2<=>C5H10OOH2-3 + O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH2-4O2<=>C5H10OOH2-4 + O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH2-5O2<=>C5H10OOH2-5 + O2 2.572E+20 -1.620 3.565E+04 REV/ 4.520E+12 0.000 0.000E+00 / C5H10OOH3-1O2<=>C5H10OOH3-1 + O2 2.572E+20 -1.620 3.565E+04 REV/ 4.520E+12 0.000 0.000E+00 / C5H10OOH3-2O2<=>C5H10OOH3-2 + O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / C5H10OOH1-2O2<=>NC5KET12 + OH 2.000E+11 0.000 2.600E+04 REV/ 2.780E+04 1.354 4.895E+04 / C5H10OOH1-3O2<=>NC5KET13 + OH 2.500E+10 0.000 2.100E+04 REV/ 1.109E+03 1.533 4.474E+04 / C5H10OOH1-4O2<=>NC5KET14 + OH 3.125E+09 0.000 1.895E+04 REV/ 1.386E+02 1.533 4.269E+04 / C5H10OOH1-5O2<=>NC5KET15 + OH 3.907E+08 0.000 2.215E+04 REV/ 2.011E+01 1.504 4.588E+04 / C5H10OOH2-1O2<=>NC5KET21 + OH 1.000E+11 0.000 2.345E+04 REV/ 2.785E+02 1.883 5.005E+04 / C5H10OOH2-3O2<=>NC5KET23 + OH 1.000E+11 0.000 2.345E+04 REV/ 1.346E+03 1.773 4.912E+04 / C5H10OOH2-4O2<=>NC5KET24 + OH 1.250E+10 0.000 1.745E+04 REV/ 5.624E+01 1.946 4.391E+04 / C5H10OOH2-5O2<=>NC5KET25 + OH 1.563E+09 0.000 1.565E+04 REV/ 9.716E+00 1.893 4.212E+04 / C5H10OOH3-1O2<=>NC5KET31 + OH 1.250E+10 0.000 1.745E+04 REV/ 6.548E+01 1.882 4.422E+04 / C5H10OOH3-2O2<=>NC5KET32 + OH 1.000E+11 0.000 2.345E+04 REV/ 9.884E+02 1.781 4.939E+04 / NC5KET12<=>NC3H7CHO+HCO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET13<=>C2H5CHO+CH2CHO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET14<=>CH3CHO+CH2CH2CHO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET15<=>CH2O+C3H6CHO-1 + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET21<=>CH2O+NC3H7CO + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET23<=>C2H5CHO+CH3CO + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET24<=>CH3CHO+CH3COCH2 + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET25<=>CH2O+CH2CH2COCH3 + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET31<=>CH2O+C2H5COCH2 + OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / NC5KET32<=>CH3CHO+C2H5CO + OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / C5H10OH-1<=>C5H10-1 + OH 1.500E+13 0.000 2.583E+04 REV/ 4.750E+12 0.000 -7.820E+02 / C5H10OH-2<=>C5H10-2 + OH 1.500E+13 0.000 2.583E+04 REV/ 4.750E+12 0.000 -7.820E+02 / O2C5H10OH-1<=>C5H10OH-1 + O2 1.058E+21 -1.840 3.775E+04 REV/ 2.000E+12 0.000 0.000E+00 / O2C5H10OH-1<=>NC3H7CHO+CH2O + OH 2.500E+10 0.000 1.886E+04 REV/ 0.000E+00 0.000 0.000E+00 / O2C5H10OH-2<=>C5H10OH-2 + O2 3.385E+21 -2.010 3.787E+04 REV/ 2.000E+12 0.000 0.000E+00 / O2C5H10OH-2<=>C2H5CHO+CH3CHO + OH 2.500E+10 0.000 1.886E+04 REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! NC6H14<=>C5H11-1+CH3 1.608E+22 -1.61 8.935E+04 REV/ 4.000E+12 0.00 -5.960E+02 / NC6H14<=>NC3H7+NC3H7 2.169E+24 -2.19 8.784E+04 REV/ 4.000E+12 0.00 -5.960E+02 / NC6H14<=>PC4H9+C2H5 1.617E+24 -2.21 8.858E+04 REV/ 4.000E+12 0.00 -5.960E+02 / NC6H14<=>C6H13-1+H 1.356E+17 -0.36 1.012E+05 REV/ 3.610E+13 0.00 0.000E+00 / NC6H14<=>C6H13-2+H 2.088E+18 -0.70 9.871E+04 REV/ 3.610E+13 0.00 0.000E+00 / NC6H14<=>C6H13-3+H 2.088E+18 -0.70 9.871E+04 REV/ 3.610E+13 0.00 0.000E+00 / NC6H14+H<=>C6H13-1+H2 1.880E+05 2.75 6.280E+03 REV/ 1.998E+01 3.38 8.615E+03 / NC6H14+H<=>C6H13-2+H2 2.600E+06 2.40 4.471E+03 REV/ 1.795E+01 3.38 9.318E+03 / NC6H14+H<=>C6H13-3+H2 2.600E+06 2.40 4.471E+03 REV/ 1.795E+01 3.38 9.318E+03 / NC6H14+O<=>C6H13-1 + OH 2.092E+06 2.42 4.766E+03 REV/ 1.167E+02 3.04 5.689E+03 / NC6H14+O<=>C6H13-2 + OH 1.189E+06 2.44 2.846E+03 REV/ 4.308E+00 3.40 6.281E+03 / NC6H14+O<=>C6H13-3 + OH 1.189E+06 2.44 2.846E+03 REV/ 4.308E+00 3.40 6.281E+03 / NC6H14 + OH<=>C6H13-1+H2O 1.056E+10 0.97 1.590E+03 REV/ 2.906E+04 2.33 1.818E+04 / NC6H14 + OH<=>C6H13-2+H2O 9.400E+07 1.61 -3.500E+01 REV/ 3.599E+02 2.87 1.914E+04 / NC6H14 + OH<=>C6H13-3+H2O 9.400E+07 1.61 -3.500E+01 REV/ 3.599E+02 2.87 1.914E+04 / NC6H14+CH3<=>C6H13-1+CH4 9.040E-01 3.65 7.154E+03 REV/ 8.770E-02 3.84 1.103E+04 / NC6H14+CH3<=>C6H13-3+CH4 1.680E+05 2.13 7.574E+03 REV/ 1.058E+03 2.67 1.396E+04 / NC6H14+CH3<=>C6H13-2+CH4 1.680E+05 2.13 7.574E+03 REV/ 1.058E+03 2.67 1.396E+04 / NC6H14+HO2<=>C6H13-1+H2O2 8.100E+04 2.50 1.669E+04 REV/ 4.983E+03 2.44 3.025E+03 / NC6H14+HO2<=>C6H13-2+H2O2 1.176E+05 2.50 1.486E+04 REV/ 4.699E+02 2.78 3.709E+03 / NC6H14+HO2<=>C6H13-3+H2O2 1.176E+05 2.50 1.486E+04 REV/ 4.699E+02 2.78 3.709E+03 / NC6H14+CH3O<=>C6H13-1+CH3OH 3.160E+11 0.00 7.000E+03 REV/ 1.200E+10 0.00 9.200E+03 / NC6H14+CH3O<=>C6H13-2+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.910E+09 0.00 7.200E+03 / NC6H14+CH3O<=>C6H13-3+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.910E+09 0.00 7.200E+03 / NC6H14 + O2<=>C6H13-1+HO2 4.200E+13 0.00 5.280E+04 REV/ 2.342E+10 0.29 4.510E+02 / NC6H14 + O2<=>C6H13-2+HO2 2.800E+13 0.00 5.016E+04 REV/ 1.014E+09 0.63 3.130E+02 / NC6H14 + O2<=>C6H13-3+HO2 2.800E+13 0.00 5.016E+04 REV/ 1.014E+09 0.63 3.130E+02 / NC6H14+C2H5<=>C6H13-1+C2H6 1.000E+11 0.00 1.340E+04 REV/ 3.240E+11 0.00 1.230E+04 / NC6H14+C2H5<=>C6H13-2+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / NC6H14+C2H5<=>C6H13-3+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / NC6H14+C2H3<=>C6H13-1+C2H4 1.000E+12 0.00 1.800E+04 REV/ 2.570E+12 0.00 2.540E+04 / NC6H14+C2H3<=>C6H13-2+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / NC6H14+C2H3<=>C6H13-3+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / NC6H14+CH3O2<=>C6H13-1+CH3O2H 8.100E+04 2.50 1.669E+04 REV/ 9.695E+04 2.00 1.430E+03 / NC6H14+CH3O2<=>C6H13-2+CH3O2H 1.176E+05 2.50 1.486E+04 REV/ 9.141E+03 2.34 2.114E+03 / NC6H14+CH3O2<=>C6H13-3+CH3O2H 1.176E+05 2.50 1.486E+04 REV/ 9.141E+03 2.34 2.114E+03 / NC6H14 + O2CHO<=>C6H13-1+HO2CHO 1.680E+13 0.00 2.044E+04 REV/ 5.692E+02 2.30 3.060E+03 / NC6H14 + O2CHO<=>C6H13-2+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.464E+01 2.64 2.823E+03 / NC6H14 + O2CHO<=>C6H13-3+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.464E+01 2.64 2.823E+03 / C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC6H14+C6H13-1<=>NC6H14+C6H13-2 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / NC6H14+C6H13-1<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / NC6H14+C6H13-2<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / C6H13-1+HO2<=>C6H13O-1 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.266E+15 -0.56 2.615E+04 / C6H13-2+HO2<=>C6H13O-2 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.073E+17 -1.15 2.807E+04 / C6H13-3+HO2<=>C6H13O-3 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.073E+17 -1.15 2.807E+04 / C6H13-1+CH3O2<=>C6H13O-1+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 2.043E+14 -0.26 3.039E+04 / C6H13-2+CH3O2<=>C6H13O-2+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.922E+16 -0.85 3.231E+04 / C6H13-3+CH3O2<=>C6H13O-3+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.922E+16 -0.85 3.231E+04 / C6H13-1 + O2<=>C6H12-1+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / C6H13-2 + O2<=>C6H12-1+HO2 4.500E-19 0.00 5.020E+03 REV/ 2.000E-19 0.00 1.750E+04 / C6H13-2 + O2<=>C6H12-2+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / C6H13-3 + O2<=>C6H12-2+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / C6H13-3 + O2<=>C6H12-3+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / C6H13-1<=>C2H4+PC4H9 6.391E+19 -1.97 3.064E+04 REV/ 3.300E+11 0.00 7.200E+03 / C6H13-1<=>C6H12-1+H 9.621E+13 -0.26 3.600E+04 REV/ 1.000E+13 0.00 2.900E+03 / C6H13-2<=>C3H6+NC3H7 1.827E+19 -1.80 3.017E+04 REV/ 1.500E+11 0.00 7.200E+03 / C6H13-2<=>C6H12-1+H 6.248E+12 0.09 3.682E+04 REV/ 1.000E+13 0.00 1.200E+03 / C6H13-2<=>C6H12-2+H 1.271E+13 -0.09 3.565E+04 REV/ 1.000E+13 0.00 2.900E+03 / C6H13-3<=>C4H8-1+C2H5 1.202E+19 -1.76 3.045E+04 REV/ 1.500E+11 0.00 7.200E+03 / C6H13-3<=>C5H10-1+CH3 1.671E+16 -0.93 3.148E+04 REV/ 1.500E+11 0.00 7.200E+03 / C6H13-3<=>C6H12-2+H 1.271E+13 -0.09 3.565E+04 REV/ 1.000E+13 0.00 2.900E+03 / C6H13-3<=>C6H12-3+H 4.659E+12 -0.02 3.574E+04 REV/ 1.000E+13 0.00 2.900E+03 / C6H13-1<=>C6H13-2 5.478E+08 1.62 3.876E+04 REV/ 3.558E+07 1.97 4.127E+04 / C6H13-1<=>C6H13-3 1.495E+09 0.97 3.376E+04 REV/ 9.709E+07 1.31 3.627E+04 / C6H12-1<=>NC3H7+C3H5-A 1.000E+16 0.00 7.100E+04 REV/ 1.000E+13 0.00 0.000E+00 / C6H12-2<=>C2H5+C4H71-3 1.000E+16 0.00 7.100E+04 REV/ 1.000E+13 0.00 0.000E+00 / C6H12-3<=>CH3+C5H91-3 1.000E+16 0.00 7.100E+04 REV/ 1.000E+13 0.00 0.000E+00 / C6H12-1 + OH<=>C5H11-1+CH2O 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12-2 + OH<=>PC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12-3 + OH<=>PC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12-1+O<=>C5H11-1+HCO 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12-2+O<=>PC4H9+CH3CO 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12-1+H<=>C6H111-3+H2 3.376E+05 2.36 2.070E+02 REV/ 4.378E+06 2.10 2.033E+04 / C6H12-1+H<=>C6H111-4+H2 1.170E+07 2.40 4.471E+03 REV/ 3.896E+03 2.74 1.125E+04 / C6H12-1+H<=>C6H111-5+H2 1.170E+07 2.40 4.471E+03 REV/ 3.896E+03 2.74 1.125E+04 / C6H12-1+H<=>C6H111-6+H2 6.650E+05 2.54 6.756E+03 REV/ 3.120E+04 2.54 1.103E+04 / C6H12-1 + OH<=>C6H111-3+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.552E+06 2.38 3.336E+04 / C6H12-1 + OH<=>C6H111-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.060E+05 1.95 2.190E+04 / C6H12-1 + OH<=>C6H111-5+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.060E+05 1.95 2.190E+04 / C6H12-1 + OH<=>C6H111-6+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.071E+09 0.97 2.101E+04 / C6H12-1+CH3<=>C6H111-3+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.250E+03 3.05 2.460E+04 / C6H12-1+CH3<=>C6H111-4+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.182E-01 3.80 1.274E+04 / C6H12-1+CH3<=>C6H111-5+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.182E-01 3.80 1.274E+04 / C6H12-1+CH3<=>C6H111-6+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.541E-01 3.65 1.190E+04 / ! ! ! C6H12-1+HO2<=>C6H111-3+H2O2 9.640E+03 2.55 1.053E+04 !!!!4.820E+03 2.55 1.053E+04 MM !!REV/ 1.606E+06 1.96 1.434E+04 / C6H12-1+HO2<=>C6H111-4+H2O2 9.640E+03 2.60 1.391E+04 !!REV/ 7.425E+02 2.61 4.382E+03 / C6H12-1+HO2<=>C6H111-5+H2O2 9.640E+03 2.60 1.391E+04 !!REV/ 7.425E+02 2.61 4.382E+03 / C6H12-1+HO2<=>C6H111-6+H2O2 2.380E+04 2.55 1.649E+04 !!REV/ 2.870E+04 2.22 4.456E+03 / ! ! C6H12-1+CH3O2<=>C6H111-3+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.345E+06 1.79 1.132E+04 / C6H12-1+CH3O2<=>C6H111-4+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.546E+03 2.44 1.362E+03 / C6H12-1+CH3O2<=>C6H111-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.546E+03 2.44 1.362E+03 / C6H12-1+CH3O2<=>C6H111-6+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 5.976E+04 2.04 1.436E+03 / C6H12-1+CH3O<=>C6H111-3+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.501E+02 2.67 2.700E+04 / C6H12-1+CH3O<=>C6H111-4+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.095E+08 0.37 9.621E+03 / C6H12-1+CH3O<=>C6H111-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.095E+08 0.37 9.621E+03 / C6H12-1+CH3O<=>C6H111-6+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.908E+09 0.02 8.998E+03 / C6H12-2+H<=>C6H111-3+H2 1.730E+05 2.50 2.492E+03 REV/ 4.563E+06 2.06 1.974E+04 / C6H12-2+H<=>C6H112-4+H2 3.376E+05 2.36 2.070E+02 REV/ 4.384E+06 2.10 2.033E+04 / C6H12-2+H<=>C6H112-5+H2 1.170E+07 2.40 4.471E+03 REV/ 3.921E+03 2.74 1.125E+04 / C6H12-2+H<=>C6H112-6+H2 6.651E+05 2.54 6.756E+03 REV/ 3.122E+04 2.53 1.103E+04 / C6H12-2 + OH<=>C6H111-3+H2O 3.120E+06 2.00 -2.980E+02 REV/ 3.563E+08 1.56 3.211E+04 / C6H12-2 + OH<=>C6H112-4+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.554E+06 2.38 3.336E+04 / C6H12-2 + OH<=>C6H112-5+H2O 4.670E+05 1.61 -3.500E+01 REV/ 6.099E+03 1.95 2.190E+04 / C6H12-2 + OH<=>C6H112-6+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.071E+09 0.96 2.101E+04 / C6H12-2+CH3<=>C6H111-3+CH4 2.210E+00 3.50 5.675E+03 REV/ 1.523E+03 3.06 2.341E+04 / C6H12-2+CH3<=>C6H112-4+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.252E+03 3.05 2.460E+04 / C6H12-2+CH3<=>C6H112-5+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.190E-01 3.80 1.274E+04 / C6H12-2+CH3<=>C6H112-6+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.543E-01 3.64 1.190E+04 / C6H12-2+HO2<=>C6H111-3+H2O2 9.639E+03 2.60 1.391E+04 REV/ 6.534E+06 1.84 1.485E+04 / C6H12-2+HO2<=>C6H112-4+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.609E+06 1.96 1.434E+04 / C6H12-2+HO2<=>C6H112-5+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.473E+02 2.61 4.382E+03 / C6H12-2+HO2<=>C6H112-6+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.871E+04 2.22 4.456E+03 / C6H12-2+CH3O2<=>C6H111-3+CH3O2H 9.639E+03 2.60 1.391E+04 REV/ 1.361E+07 1.66 1.183E+04 / C6H12-2+CH3O2<=>C6H112-4+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.350E+06 1.79 1.132E+04 / C6H12-2+CH3O2<=>C6H112-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.556E+03 2.44 1.362E+03 / C6H12-2+CH3O2<=>C6H112-6+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 5.978E+04 2.04 1.436E+03 / C6H12-2+CH3O<=>C6H111-3+CH3OH 9.000E+01 2.95 1.199E+04 REV/ 1.144E+03 2.54 2.751E+04 / C6H12-2+CH3O<=>C6H112-4+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.504E+02 2.66 2.700E+04 / C6H12-2+CH3O<=>C6H112-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.109E+08 0.37 9.621E+03 / C6H12-2+CH3O<=>C6H112-6+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.910E+09 0.02 8.998E+03 / C6H12-3+H<=>C6H113-1+H2 1.330E+06 2.54 6.756E+03 REV/ 3.078E+04 2.54 1.103E+04 / C6H12-3+H<=>C6H112-4+H2 6.752E+05 2.36 2.070E+02 REV/ 3.215E+06 2.17 2.042E+04 / C6H12-3 + OH<=>C6H113-1+H2O 1.054E+10 0.97 1.586E+03 REV/ 1.056E+09 0.97 2.101E+04 / C6H12-3 + OH<=>C6H112-4+H2O 5.528E+04 2.64 -1.919E+03 REV/ 1.140E+06 2.45 3.345E+04 / C6H12-3+CH3<=>C6H113-1+CH4 9.042E-01 3.65 7.154E+03 REV/ 5.467E-01 3.65 1.190E+04 / C6H12-3+CH3<=>C6H112-4+CH4 7.380E+00 3.31 4.002E+03 REV/ 9.179E+02 3.12 2.469E+04 / C6H12-3+HO2<=>C6H113-1+H2O2 4.760E+04 2.55 1.649E+04 REV/ 2.832E+04 2.22 4.456E+03 / C6H12-3+HO2<=>C6H112-4+H2O2 9.640E+03 2.55 1.053E+04 REV/ 1.180E+06 2.03 1.443E+04 / C6H12-3+CH3O2<=>C6H113-1+CH3O2H 4.760E+04 2.55 1.649E+04 REV/ 5.896E+04 2.04 1.436E+03 / C6H12-3+CH3O2<=>C6H112-4+CH3O2H 9.640E+03 2.55 1.053E+04 REV/ 2.456E+06 1.85 1.141E+04 / C6H12-3+CH3O<=>C6H113-1+CH3OH 4.340E+11 0.00 6.458E+03 REV/ 4.843E+09 0.02 8.998E+03 / C6H12-3+CH3O<=>C6H112-4+CH3OH 8.000E+01 2.90 8.609E+03 REV/ 1.836E+02 2.73 2.709E+04 / C6H111-3+HO2<=>C6H11O1-3 + OH 9.640E+12 0.00 0.000E+00 REV/ 1.070E+16 -1.14 1.580E+04 / C6H111-3+CH3O2<=>C6H11O1-3+CH3O 9.640E+12 0.00 0.000E+00 REV/ 1.045E+18 -1.72 2.057E+04 / C6H111-3+C2H5O2<=>C6H11O1-3+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 6.844E+14 -0.80 1.841E+04 / C6H111-6<=>C6H111-3 1.113E+12 0.00 3.170E+04 REV/ 3.076E+14 -0.25 4.755E+04 / C6H112-4+HO2<=>C6H11O2-4 + OH 9.640E+12 0.00 0.000E+00 REV/ 9.704E+15 -1.13 1.579E+04 / C6H112-4+CH3O2<=>C6H11O2-4+CH3O 9.640E+12 0.00 0.000E+00 REV/ 9.478E+17 -1.71 2.056E+04 / C6H112-4+C2H5O2<=>C6H11O2-4+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 6.204E+14 -0.78 1.840E+04 / C6H11O1-3<=>C2H3CHO+NC3H7 1.427E+20 -2.04 1.123E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O1-3<=>NC3H7CHO+C2H3 2.400E+18 -1.63 2.341E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O2-4<=>SC3H5CHO+C2H5 5.449E+19 -1.92 1.076E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O2-4<=>C2H5CHO+C3H5-S 2.346E+22 -2.58 2.931E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H13O2-1<=>C6H13-1 + O2 5.150E+20 -1.71 3.579E+04 REV/ 4.520E+12 0.00 0.000E+00 / C6H13O2-2<=>C6H13-2 + O2 2.180E+23 -2.33 3.804E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H13O2-3<=>C6H13-3 + O2 2.180E+23 -2.33 3.804E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H13-1+C6H13O2-1<=>C6H13O-1+C6H13O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.781E+13 -0.21 2.984E+04 / C6H13-1+C6H13O2-2<=>C6H13O-1+C6H13O-2 7.000E+12 0.00 -1.000E+03 REV/ 3.628E+13 -0.17 2.950E+04 / C6H13-1+C6H13O2-3<=>C6H13O-1+C6H13O-3 7.000E+12 0.00 -1.000E+03 REV/ 3.628E+13 -0.17 2.950E+04 / C6H13-2+C6H13O2-1<=>C6H13O-2+C6H13O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.205E+15 -0.79 3.176E+04 / C6H13-2+C6H13O2-2<=>C6H13O-2+C6H13O-2 7.000E+12 0.00 -1.000E+03 REV/ 3.414E+15 -0.76 3.142E+04 / C6H13-2+C6H13O2-3<=>C6H13O-2+C6H13O-3 7.000E+12 0.00 -1.000E+03 REV/ 3.414E+15 -0.76 3.142E+04 / C6H13-3+C6H13O2-1<=>C6H13O-3+C6H13O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.205E+15 -0.79 3.176E+04 / C6H13-3+C6H13O2-2<=>C6H13O-3+C6H13O-2 7.000E+12 0.00 -1.000E+03 REV/ 3.414E+15 -0.76 3.142E+04 / C6H13-3+C6H13O2-3<=>C6H13O-3+C6H13O-3 7.000E+12 0.00 -1.000E+03 REV/ 3.414E+15 -0.76 3.142E+04 / C6H13O2-1<=>C6H12-1+HO2 5.044E+38 -8.11 4.049E+04 REV/ 9.638E+29 -6.22 2.047E+04 / C6H13O2-2<=>C6H12-1+HO2 5.075E+42 -9.41 4.149E+04 REV/ 5.885E+32 -7.24 1.670E+04 / C6H13O2-2<=>C6H12-2+HO2 5.044E+38 -8.11 4.049E+04 REV/ 2.876E+28 -5.77 1.857E+04 / C6H13O2-3<=>C6H12-3+HO2 1.009E+39 -8.11 4.049E+04 REV/ 1.569E+29 -5.83 1.848E+04 / C6H13O2-1<=>C6H12OOH1-2 2.000E+11 0.00 2.685E+04 REV/ 2.402E+10 -0.12 1.386E+04 / C6H13O2-1<=>C6H12OOH1-3 2.500E+10 0.00 2.085E+04 REV/ 3.003E+09 -0.12 7.860E+03 / C6H13O2-1<=>C6H12OOH1-4 3.125E+09 0.00 1.865E+04 REV/ 3.754E+08 -0.12 6.060E+03 / C6H13O2-1<=>C6H12OOH1-5 3.906E+08 0.00 2.205E+04 REV/ 4.692E+07 -0.12 9.060E+03 / C6H13O2-2<=>C6H12OOH2-1 3.000E+11 0.00 2.940E+04 REV/ 7.948E+11 -0.52 1.395E+04 / C6H13O2-2<=>C6H12OOH2-3 2.000E+11 0.00 2.685E+04 REV/ 2.578E+10 -0.13 1.388E+04 / C6H13O2-2<=>C6H12OOH2-4 2.500E+10 0.00 2.085E+04 REV/ 3.223E+09 -0.13 7.880E+03 / C6H13O2-2<=>C6H12OOH2-5 3.125E+09 0.00 1.865E+04 REV/ 4.028E+08 -0.13 6.080E+03 / C6H13O2-2<=>C6H12OOH2-6 5.860E+08 0.00 2.515E+04 REV/ 1.553E+09 -0.52 1.010E+04 / C6H13O2-3<=>C6H12OOH3-1 3.750E+10 0.00 2.400E+04 REV/ 9.935E+10 -0.52 8.950E+03 / C6H13O2-3<=>C6H12OOH3-2 2.000E+11 0.00 2.685E+04 REV/ 2.578E+10 -0.13 1.388E+04 / C6H13O2-3<=>C6H12OOH3-4 2.000E+11 0.00 2.685E+04 REV/ 2.578E+10 -0.13 1.388E+04 / C6H13O2-3<=>C6H12OOH3-5 2.500E+10 0.00 2.085E+04 REV/ 3.223E+09 -0.13 7.880E+03 / C6H13O2-3<=>C6H12OOH3-6 4.688E+09 0.00 2.195E+04 REV/ 1.242E+10 -0.52 6.900E+03 / C6H13O2-1+HO2<=>C6H13O2H-1 + O2 1.750E+10 0.00 -3.275E+03 REV/ 3.538E+13 -0.78 3.360E+04 / C6H13O2-2+HO2<=>C6H13O2H-2 + O2 1.750E+10 0.00 -3.275E+03 REV/ 4.447E+13 -0.81 3.364E+04 / C6H13O2-3+HO2<=>C6H13O2H-3 + O2 1.750E+10 0.00 -3.275E+03 REV/ 4.447E+13 -0.81 3.364E+04 / C6H13O2-1+H2O2<=>C6H13O2H-1+HO2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / C6H13O2-2+H2O2<=>C6H13O2H-2+HO2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / C6H13O2-3+H2O2<=>C6H13O2H-3+HO2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / C6H13O2-1+CH3O2<=>C6H13O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-2+CH3O2<=>C6H13O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-3+CH3O2<=>C6H13O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-1+C6H13O2-1<=>O2+C6H13O-1+C6H13O-1 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-1+C6H13O2-2<=>O2+C6H13O-1+C6H13O-2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-1+C6H13O2-3<=>O2+C6H13O-1+C6H13O-3 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-2+C6H13O2-2<=>O2+C6H13O-2+C6H13O-2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-2+C6H13O2-3<=>O2+C6H13O-2+C6H13O-3 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2-3+C6H13O2-3<=>O2+C6H13O-3+C6H13O-3 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H13O2H-1<=>C6H13O-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 2.025E+07 1.93 -6.512E+03 / C6H13O2H-2<=>C6H13O-2 + OH 1.000E+16 0.00 3.900E+04 REV/ 5.977E+06 2.00 -6.892E+03 / C6H13O2H-3<=>C6H13O-3 + OH 1.000E+16 0.00 3.900E+04 REV/ 5.977E+06 2.00 -6.892E+03 / C6H13O-1<=>C5H11-1+CH2O 5.226E+20 -2.08 2.483E+04 REV/ 1.000E+11 0.00 1.190E+04 / C6H13O-2<=>PC4H9+CH3CHO 2.365E+22 -2.61 1.962E+04 REV/ 1.000E+11 0.00 1.190E+04 / C6H13O-3<=>C2H5CHO+NC3H7 8.045E+17 -1.17 1.817E+04 REV/ 1.000E+11 0.00 1.190E+04 / C6H12OOH1-2<=>C6H12O1-2 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH1-3<=>C6H12O1-3 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH1-4<=>C6H12O1-4 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH1-5<=>C6H12O1-5 + OH 1.172E+09 0.00 1.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-1<=>C6H12O1-2 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-3<=>C6H12O2-3 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-4<=>C6H12O2-4 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-5<=>C6H12O2-5 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-6<=>C6H12O1-5 + OH 1.172E+09 0.00 1.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-2<=>C6H12O2-3 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-4<=>C6H12O3-4 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-1<=>C6H12O1-3 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-5<=>C6H12O2-4 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-6<=>C6H12O1-4 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !C6H12OOH1-2<=>C6H12-1+HO2 1.018E+19 -2.02 1.972E+04 !!!MOVED DOWN !REV/ 1.620E+11 0.00 1.269E+04 / !C6H12OOH2-1<=>C6H12-1+HO2 3.701E+21 -2.69 2.203E+04 !REV/ 1.620E+11 0.00 1.269E+04 / !C6H12OOH2-3<=>C6H12-2+HO2 3.663E+20 -2.48 2.164E+04 !REV/ 1.620E+11 0.00 1.269E+04 / !C6H12OOH3-2<=>C6H12-2+HO2 3.663E+20 -2.48 2.164E+04 !REV/ 1.620E+11 0.00 1.269E+04 / !C6H12OOH3-4<=>C6H12-3+HO2 2.682E+20 -2.41 2.173E+04 !REV/ 3.236E+11 0.00 1.269E+04 / C6H12OOH1-3<=>OH+CH2O+C5H10-1 7.703E+13 -0.16 3.009E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH2-4<=>OH+CH3CHO+C4H8-1 2.933E+18 -1.70 2.408E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-5<=>OH+C2H5CHO+C3H6 1.171E+17 -1.31 2.888E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH3-1<=>OH+CH3CHO+C2H4+C2H4 7.326E+18 -1.74 2.742E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OOH1-2O2<=>C6H12OOH1-2 + O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH1-3O2<=>C6H12OOH1-3 + O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH1-4O2<=>C6H12OOH1-4 + O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH1-5O2<=>C6H12OOH1-5 + O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH2-1O2<=>C6H12OOH2-1 + O2 1.463E+20 -1.64 3.567E+04 REV/ 4.520E+12 0.00 0.000E+00 / C6H12OOH2-3O2<=>C6H12OOH2-3 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH2-4O2<=>C6H12OOH2-4 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH2-5O2<=>C6H12OOH2-5 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH2-6O2<=>C6H12OOH2-6 + O2 1.463E+20 -1.64 3.567E+04 REV/ 4.520E+12 0.00 0.000E+00 / C6H12OOH3-1O2<=>C6H12OOH3-1 + O2 1.463E+20 -1.64 3.567E+04 REV/ 4.520E+12 0.00 0.000E+00 / C6H12OOH3-2O2<=>C6H12OOH3-2 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH3-4O2<=>C6H12OOH3-4 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH3-5O2<=>C6H12OOH3-5 + O2 4.792E+22 -2.33 3.796E+04 REV/ 7.540E+12 0.00 0.000E+00 / C6H12OOH3-6O2<=>C6H12OOH3-6 + O2 1.463E+20 -1.64 3.567E+04 REV/ 4.520E+12 0.00 0.000E+00 / C6H12OOH1-2O2<=>NC6KET12 + OH 2.000E+11 0.00 2.600E+04 REV/ 2.607E-12 6.14 3.970E+04 / C6H12OOH1-3O2<=>NC6KET13 + OH 2.500E+10 0.00 2.100E+04 REV/ 8.825E+02 1.56 4.471E+04 / C6H12OOH1-4O2<=>NC6KET14 + OH 3.125E+09 0.00 1.895E+04 REV/ 1.103E+02 1.56 4.266E+04 / C6H12OOH1-5O2<=>NC6KET15 + OH 3.906E+08 0.00 2.215E+04 REV/ 1.379E+01 1.56 4.586E+04 / C6H12OOH2-1O2<=>NC6KET21 + OH 1.000E+11 0.00 2.345E+04 REV/ 2.253E+02 1.91 5.003E+04 / C6H12OOH2-3O2<=>NC6KET23 + OH 1.000E+11 0.00 2.345E+04 REV/ 1.156E+03 1.79 4.909E+04 / C6H12OOH2-4O2<=>NC6KET24 + OH 1.250E+10 0.00 1.745E+04 REV/ 4.618E+01 1.97 4.388E+04 / C6H12OOH2-5O2<=>NC6KET25 + OH 1.563E+09 0.00 1.565E+04 REV/ 5.774E+00 1.97 4.208E+04 / C6H12OOH2-6O2<=>NC6KET26 + OH 3.906E+08 0.00 2.215E+04 REV/ 1.939E+00 1.92 4.859E+04 / C6H12OOH3-1O2<=>NC6KET31 + OH 1.250E+10 0.00 1.745E+04 REV/ 5.308E+01 1.91 4.419E+04 / C6H12OOH3-2O2<=>NC6KET32 + OH 1.000E+11 0.00 2.345E+04 REV/ 7.384E+02 1.82 4.935E+04 / C6H12OOH3-4O2<=>NC6KET34 + OH 1.000E+11 0.00 2.345E+04 REV/ 7.384E+02 1.82 4.935E+04 / C6H12OOH3-5O2<=>NC6KET35 + OH 1.250E+10 0.00 1.745E+04 REV/ 3.503E+01 1.98 4.416E+04 / C6H12OOH3-6O2<=>NC6KET36 + OH 1.563E+09 0.00 1.565E+04 REV/ 6.638E+00 1.91 4.239E+04 / NC6KET12<=>NC4H9CHO+HCO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET13<=>NC3H7CHO+CH2CHO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET14<=>C2H5CHO+CH2CH2CHO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET15<=>CH3CHO+C3H6CHO-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET21<=>CH2O+NC4H9CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET23<=>NC3H7CHO+CH3CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET24<=>C2H5CHO+CH3COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET25<=>CH3CHO+CH2CH2COCH3 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET26<=>CH2O+C3H6COCH3-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET31<=>CH2O+NC3H7COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET32<=>CH3CHO+NC3H7CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET34<=>C2H5CHO+C2H5CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET35<=>CH3CHO+C2H5COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC6KET36<=>CH2O+C2H5COC2H4P + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-2 + OH<=>C2H3CHO+NC3H7+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-3 + OH<=>C5H10-1+HCO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-4 + OH<=>C4H8-1+CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-5 + OH<=>C3H6+CH2CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-3 + OH<=>C2H3COCH3+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-4 + OH<=>C4H8-1+CH3CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-5 + OH<=>C3H6+CH3COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O3-4 + OH<=>C2H5COC2H3+CH3+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-2 + OH<=>CH2CO+PC4H9+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-3 + OH<=>C2H4+NC3H7CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-4 + OH<=>C2H4+C2H5COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-5 + OH<=>C2H4+CH2CH2COCH3+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-3 + OH<=>CH3CHCO+NC3H7+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-4 + OH<=>C3H6+C2H5CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-5 + OH<=>CH3CHO+C4H71-3+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O3-4 + OH<=>C2H5CHO+C3H5-S+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-2+HO2<=>C2H3CHO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-3+HO2<=>C5H10-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-4+HO2<=>C4H8-1+CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-5+HO2<=>C3H6+CH2CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-3+HO2<=>C2H3COCH3+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-4+HO2<=>C4H8-1+CH3CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-5+HO2<=>C3H6+CH3COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O3-4+HO2<=>C2H5COC2H3+CH3+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-2+HO2<=>CH2CO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-3+HO2<=>C2H4+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-4+HO2<=>C2H4+C2H5COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O1-5+HO2<=>C2H4+CH2CH2COCH3+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-3+HO2<=>CH3CHCO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-4+HO2<=>C3H6+C2H5CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O2-5+HO2<=>CH3CHO+C4H71-3+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12O3-4+HO2<=>C2H5CHO+C3H5-S+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! !C6H12-1 + OH<=>C6H12OH-1 1.000E+12 0.00 -1.042E+03 !O2C6H12OH-1<=>C6H12OH-1 + O2 1.822E+21 -1.92 3.776E+04 !REV/ 2.000E+12 0.00 0.000E+00 / !O2C6H12OH-1<=>NC4H9CHO+CH2O + OH 2.500E+10 0.00 1.886E+04 !REV/ 0.000E+00 0.00 0.000E+00 / ! C6H12-1 + OH<=>C6H12OH-1 1.000E+13 0.00 0.0000+03 !!!!!!!!!!!!!!!!WADDINGTON C6H12OH-1 + O2<=>O2C6H12OH-1 .600E+13 .000 .0 !!!PUO' ESSERE IN POSIZ. 1 O 2 !!!O2C6H12OH-1<=>NC4H9CHO+CH2O + OH 2.500E+10 0.00 1.886E+04 O2C6H12OH-1<=>NC4H9CHO+CH2O + OH 1.00E+12 0.00 2.780E+04 ! ! ! C6H12OH-2<=>C6H12-2 + OH 1.065E+16 -1.00 2.933E+04 REV/ 1.000E+12 0.00 -1.042E+03 / O2C6H12OH-2<=>C6H12OH-2 + O2 3.816E+21 -2.02 3.783E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C6H12OH-2<=>NC3H7CHO+CH3CHO + OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / C6H12OH-3<=>C6H12-3 + OH 3.903E+15 -0.93 2.942E+04 REV/ 1.000E+12 0.00 -1.042E+03 / O2C6H12OH-3<=>C6H12OH-3 + O2 3.816E+21 -2.02 3.783E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C6H12OH-3<=>OH+C2H5CHO+C2H5CHO 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC4H9CHO + O2<=>NC4H9CO+HO2 2.000E+13 0.50 4.220E+04 REV/ 1.000E+07 0.00 4.000E+04 / NC4H9CHO + OH<=>NC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 2.143E+10 0.73 3.124E+04 / NC4H9CHO+H<=>NC4H9CO+H2 4.000E+13 0.00 4.200E+03 REV/ 1.800E+13 0.00 2.400E+04 / NC4H9CHO+O<=>NC4H9CO + OH 5.000E+12 0.00 1.790E+03 REV/ 1.000E+12 0.00 1.900E+04 / NC4H9CHO+HO2<=>NC4H9CO+H2O2 2.800E+12 0.00 1.360E+04 REV/ 1.000E+12 0.00 1.000E+04 / NC4H9CHO+CH3<=>NC4H9CO+CH4 1.700E+12 0.00 8.440E+03 REV/ 1.500E+13 0.00 2.800E+04 / NC4H9CHO+CH3O<=>NC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03 REV/ 3.000E+11 0.00 1.800E+04 / NC4H9CHO+CH3O2<=>NC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV/ 2.500E+10 0.00 1.000E+04 / NC4H9CHO + OH<=>C4H8CHO-1+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.233E+09 0.95 2.104E+04 / NC4H9CHO + OH<=>C4H8CHO-2+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.837E+05 1.93 2.192E+04 / NC4H9CHO + OH<=>C4H8CHO-3+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.837E+05 1.93 2.192E+04 / NC4H9CHO + OH<=>C4H8CHO-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.202E+09 1.34 2.887E+04 / NC4H9CO<=>PC4H9+CO 1.000E+11 0.00 9.600E+03 REV/ 1.000E+11 0.00 0.000E+00 / C4H8CHO-1<=>C2H4+CH2CH2CHO 5.984E+18 -1.60 3.043E+04 REV/ 2.500E+11 0.00 7.800E+03 / C4H8CHO-2<=>C3H6+CH2CHO 2.984E+14 -0.76 2.332E+04 REV/ 1.000E+11 0.00 7.800E+03 / C4H8CHO-3<=>C4H8-1+HCO 4.797E+14 -0.72 2.435E+04 REV/ 1.000E+11 0.00 7.800E+03 / C4H8CHO-3<=>AC3H5CHO+CH3 3.643E+13 -0.36 3.033E+04 REV/ 1.000E+11 0.00 7.800E+03 / C4H8CHO-4<=>C2H3CHO+C2H5 1.863E+18 -1.30 3.083E+04 REV/ 1.000E+11 0.00 7.800E+03 / AC3H5CHO<=>C3H5-A+HCO 1.813E+19 -1.08 6.848E+04 REV/ 1.000E+13 0.00 0.000E+00 / AC3H5CHO + OH<=>AC3H5CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 1.741E+10 0.76 3.120E+04 / AC3H5CHO + OH<=>C2H3CHCHO+H2O 3.120E+06 2.00 -2.980E+02 REV/ 1.246E+08 1.79 3.493E+04 / AC3H5CHO+HO2<=>AC3H5CO+H2O2 3.000E+12 0.00 1.192E+04 REV/ 1.152E+13 -0.33 1.199E+04 / AC3H5CHO+HO2<=>C2H3CHCHO+H2O2 9.630E+03 2.60 1.391E+04 REV/ 2.283E+06 2.06 1.767E+04 / AC3H5CHO+CH3O2<=>AC3H5CO+CH3O2H 1.000E+12 0.00 1.192E+04 REV/ 1.579E+13 -0.51 1.127E+04 / AC3H5CHO+CH3O2<=>C2H3CHCHO+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.939E+15 -0.72 2.009E+04 / AC3H5CO<=>C3H5-A+CO 6.199E+15 -1.09 -3.300E+02 REV/ 1.500E+11 0.00 4.810E+03 / !!!!!!!!!!!!!!!!!!!!!!C2H3CHCHO+HO2=>C2H3CHO+HCO + OH 8.910E+12 0.00 0.000E+00 ! WJP: REVERSE RATE ABOVE COLLISONAL. MAKE REACTION ONE WAY. REACTION OCCURS IN 2 STEPS NC3H7COCH3 + OH<=>C3H6COCH3-1+H2O 2.065E+07 1.73 7.530E+02 REV/ 3.604E+06 1.75 2.017E+04 / NC3H7COCH3 + OH<=>C3H6COCH3-2+H2O 3.615E+07 1.64 -2.470E+02 REV/ 3.668E+05 2.01 2.166E+04 / NC3H7COCH3 + OH<=>C3H6COCH3-3+H2O 8.450E+11 0.00 -2.280E+02 REV/ 2.368E+13 -0.28 2.870E+04 / NC3H7COCH3 + OH<=>NC3H7COCH2+H2O 5.100E+11 0.00 1.192E+03 REV/ 9.286E+13 -0.74 2.773E+04 / NC3H7COCH3+HO2<=>C3H6COCH3-1+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.465E+04 2.24 4.442E+03 / NC3H7COCH3+HO2<=>C3H6COCH3-2+H2O2 5.600E+12 0.00 1.770E+04 REV/ 3.373E+11 0.05 8.142E+03 / NC3H7COCH3+HO2<=>C3H6COCH3-3+H2O2 2.000E+11 0.00 8.698E+03 REV/ 3.327E+13 -0.60 6.160E+03 / NC3H7COCH3+HO2<=>NC3H7COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV/ 2.572E+07 1.48 9.762E+03 / NC3H7COCH3+CH3O2<=>C3H6COCH3-1+CH3O2H 3.010E+12 0.00 1.938E+04 REV/ 1.281E+13 -0.49 6.607E+03 / NC3H7COCH3+CH3O2<=>C3H6COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 4.926E+11 -0.13 6.774E+03 / NC3H7COCH3+CH3O2<=>C3H6COCH3-3+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 1.367E+15 -0.78 1.199E+04 / NC3H7COCH3+CH3O2<=>NC3H7COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV/ 1.337E+16 -1.25 1.193E+04 / C3H6COCH3-1<=>C2H4+CH3COCH2 2.904E+16 -1.21 2.700E+04 REV/ 1.000E+11 0.00 8.600E+03 / C3H6COCH3-2<=>C3H6+CH3CO 2.719E+16 -1.05 2.559E+04 REV/ 1.000E+11 0.00 7.800E+03 / C3H6COCH3-3<=>C2H3COCH3+CH3 9.615E+15 -0.75 3.239E+04 REV/ 1.000E+11 0.00 7.800E+03 / NC3H7COCH2<=>NC3H7+CH2CO 1.226E+18 -1.40 4.345E+04 REV/ 1.000E+11 0.00 1.160E+04 / C2H5COC2H5 + OH<=>C2H5COC2H4P+H2O 1.054E+10 0.97 1.586E+03 REV/ 1.194E+09 0.95 2.103E+04 / C2H5COC2H5 + OH<=>C2H5COC2H4S+H2O 1.690E+12 0.00 -2.280E+02 REV/ 3.296E+13 -0.32 2.874E+04 / C2H5COC2H5+HO2<=>C2H5COC2H4P+H2O2 4.760E+04 2.55 1.649E+04 REV/ 3.201E+04 2.20 4.472E+03 / C2H5COC2H5+HO2<=>C2H5COC2H4S+H2O2 4.000E+11 0.00 8.698E+03 REV/ 4.631E+13 -0.65 6.200E+03 / C2H5COC2H5 + O2<=>C2H5COC2H4P+HO2 4.100E+13 0.00 5.131E+04 REV/ 1.949E+10 0.31 -1.882E+03 / C2H5COC2H5 + O2<=>C2H5COC2H4S+HO2 3.100E+13 0.00 4.197E+04 REV/ 2.537E+12 0.00 -1.702E+03 / C2H5COC2H5+H<=>C2H5COC2H4P+H2 1.832E+07 2.00 7.700E+03 REV/ 4.794E+05 1.98 1.199E+04 / C2H5COC2H5+H<=>C2H5COC2H4S+H2 8.960E+06 2.00 3.200E+03 REV/ 4.036E+07 1.68 1.701E+04 / C2H5COC2H5+C2H3<=>C2H5COC2H4P+C2H4 1.000E+12 0.00 1.040E+04 REV/ 3.850E+08 0.81 1.404E+04 / C2H5COC2H5+C2H3<=>C2H5COC2H4S+C2H4 6.000E+11 0.00 5.600E+03 REV/ 3.976E+10 0.50 1.876E+04 / C2H5COC2H5+C2H5<=>C2H5COC2H4P+C2H6 1.000E+11 0.00 1.340E+04 REV/ 1.070E+13 -0.58 1.400E+04 / C2H5COC2H5+C2H5<=>C2H5COC2H4S+C2H6 6.000E+10 0.00 8.600E+03 REV/ 1.105E+15 -0.89 1.872E+04 / C2H5COC2H5+CH3O<=>C2H5COC2H4P+CH3OH 4.340E+11 0.00 6.460E+03 REV/ 5.475E+09 0.00 9.020E+03 / C2H5COC2H5+CH3O<=>C2H5COC2H4S+CH3OH 2.900E+11 0.00 2.771E+03 REV/ 6.298E+11 -0.30 1.485E+04 / C2H5COC2H5+CH3O2<=>C2H5COC2H4P+CH3O2H 6.020E+12 0.00 1.938E+04 REV/ 1.664E+13 -0.52 6.642E+03 / C2H5COC2H5+CH3O2<=>C2H5COC2H4S+CH3O2H 4.000E+12 0.00 1.525E+04 REV/ 1.903E+15 -0.83 1.203E+04 / C2H5COC2H4P<=>C2H5CO+C2H4 1.769E+17 -1.46 2.954E+04 REV/ 8.000E+10 0.00 1.130E+04 / C2H5COC2H4S<=>C2H5COC2H3+H 8.704E+16 -0.82 4.213E+04 REV/ 1.300E+13 0.00 1.560E+03 / C2H5COC2H3 + OH<=>C2H5COCH2+CH2O 1.000E+10 0.00 0.000E+00 REV/ 1.673E+11 -0.39 1.822E+04 / C2H5COC2H3 + OH<=>PC2H4COC2H3+H2O 7.550E+09 0.97 1.586E+03 REV/ 1.285E+08 2.53 2.021E+04 / C2H5COC2H3 + OH<=>SC2H4COC2H3+H2O 8.450E+11 0.00 -2.280E+02 REV/ 1.350E+13 -0.20 2.860E+04 / C2H5COC2H3+HO2<=>C2H5CO+CH2CHO + OH 6.030E+09 0.00 7.949E+03 REV/ 1.000E+00 0.00 0.000E+00 / C2H5COC2H3+HO2<=>PC2H4COC2H3+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.405E+03 3.78 3.652E+03 / C2H5COC2H3+HO2<=>SC2H4COC2H3+H2O2 2.000E+11 0.00 8.698E+03 REV/ 1.896E+13 -0.53 6.065E+03 / C2H5COC2H3+CH3O2<=>C2H5CO+CH2CHO+CH3O 3.970E+11 0.00 1.705E+04 REV/ 1.000E+00 0.00 0.000E+00 / C2H5COC2H3+CH3O2<=>PC2H4COC2H3+CH3O2H 3.010E+12 0.00 1.938E+04 REV/ 1.250E+12 1.06 5.822E+03 / C2H5COC2H3+CH3O2<=>SC2H4COC2H3+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 7.793E+14 -0.71 1.190E+04 / PC2H4COC2H3<=>C2H3CO+C2H4 5.263E+14 0.38 2.146E+04 REV/ 8.000E+10 0.00 1.130E+04 / SC2H4COC2H3<=>CH3CHCO+C2H3 1.637E+16 -0.74 5.459E+04 REV/ 8.000E+10 0.00 1.260E+04 / ! ! ! NC7H16<=>H+C7H15-1 2.680E+88 -21.17 1.428E+05 REV/ 7.264E+84 -20.81 4.156E+04 / NC7H16<=>H+C7H15-2 1.300E+88 -21.01 1.395E+05 REV/ 2.263E+83 -20.31 4.083E+04 / NC7H16<=>H+C7H15-3 1.300E+88 -21.01 1.395E+05 REV/ 2.263E+83 -20.31 4.083E+04 / NC7H16<=>H+C7H15-4 6.500E+87 -21.01 1.395E+05 REV/ 2.255E+83 -20.31 4.083E+04 / NC7H16(+M)<=>C6H13-1+CH3(+M) 4.325E+24 -2.12 8.990E+04 !REV/ 4.630E+14 -0.32 5.000E+00 / LOW / 4.9630E+42 -7.7800E+00 4.2800E+04 / TROE / 8.9200E-01 1.0000E+10 2.2280E+00 1.7980E+09 / !TROE FALL-OFF REACTION NC7H16(+M)<=>C5H11-1+C2H5(+M) 6.818E+26 -2.70 8.891E+04 !REV/ 3.260E+15 -0.68 0.000E+00 / LOW / 3.7530E+48 -9.4600E+00 4.1310E+04 / TROE / 9.0000E-02 3.6556E+00 1.0000E+10 9.3300E+09 / !TROE FALL-OFF REACTION NC7H16(+M)<=>PC4H9+NC3H7(+M) 1.362E+26 -2.53 8.876E+04 !REV/ 3.100E+14 -0.35 0.000E+00 / LOW / 6.5090E+48 -9.5700E+00 4.1290E+04 / TROE / 9.1100E-01 1.0000E+10 2.2382E+01 5.0000E+09 / !TROE FALL-OFF REACTION NC7H16+H<=>C7H15-1+H2 1.880E+05 2.75 6.280E+03 REV/ 2.037E+01 3.38 8.618E+03 / NC7H16+H<=>C7H15-2+H2 2.600E+06 2.40 4.471E+03 REV/ 1.807E+01 3.38 9.318E+03 / NC7H16+H<=>C7H15-3+H2 2.600E+06 2.40 4.471E+03 REV/ 1.807E+01 3.38 9.318E+03 / NC7H16+H<=>C7H15-4+H2 1.170E+07 2.40 4.471E+03 REV/ 1.800E+01 3.38 9.318E+03 / NC7H16+O<=>C7H15-1 + OH 1.930E+05 2.68 3.716E+03 REV/ 1.085E+01 3.29 4.642E+03 / NC7H16+O<=>C7H15-2 + OH 9.540E+04 2.71 2.106E+03 REV/ 3.481E-01 3.67 5.541E+03 / NC7H16+O<=>C7H15-3 + OH 9.540E+04 2.71 2.106E+03 REV/ 3.481E-01 3.67 5.541E+03 / NC7H16+O<=>C7H15-4 + OH 4.770E+04 2.71 2.106E+03 REV/ 3.468E-01 3.67 5.541E+03 / NC7H16 + OH<=>C7H15-1+H2O 1.056E+10 0.97 1.590E+03 REV/ 2.952E+04 2.33 1.818E+04 / NC7H16 + OH<=>C7H15-2+H2O 9.400E+07 1.61 -3.500E+01 REV/ 3.624E+02 2.87 1.914E+04 / NC7H16 + OH<=>C7H15-3+H2O 9.400E+07 1.61 -3.500E+01 REV/ 3.624E+02 2.87 1.914E+04 / NC7H16 + OH<=>C7H15-4+H2O 4.700E+07 1.61 -3.500E+01 REV/ 3.610E+02 2.87 1.914E+04 / ! !HENRY HCT ! NC7H16+HO2<=>C7H15-1+H2O2 4.080E+01 3.59 1.716E+04 REV/ 2.557E+00 3.53 3.498E+03 / NC7H16+HO2<=>C7H15-2+H2O2 1.264E+02 3.37 1.372E+04 REV/ 4.982E-01 3.66 2.562E+03 / NC7H16+HO2<=>C7H15-3+H2O2 1.264E+02 3.37 1.372E+04 REV/ 4.982E-01 3.66 2.562E+03 / NC7H16+HO2<=>C7H15-4+H2O2 6.320E+01 3.37 1.372E+04 REV/ 4.952E-01 3.66 2.562E+03 / ! ! ! NC7H16+CH3<=>C7H15-1+CH4 9.040E-01 3.65 7.154E+03 REV/ 8.935E-02 3.84 1.103E+04 / NC7H16+CH3<=>C7H15-2+CH4 5.410E+04 2.26 7.287E+03 REV/ 3.432E+02 2.79 1.367E+04 / NC7H16+CH3<=>C7H15-3+CH4 5.410E+04 2.26 7.287E+03 REV/ 3.432E+02 2.79 1.367E+04 / NC7H16+CH3<=>C7H15-4+CH4 2.705E+04 2.26 7.287E+03 REV/ 3.419E+02 2.79 1.367E+04 / ! !!HENRY HCT ! NC7H16 + O2<=>C7H15-1+HO2 4.200E+13 0.00 5.280E+04 REV/ 2.386E+10 0.28 4.530E+02 / NC7H16 + O2<=>C7H15-2+HO2 2.800E+13 0.00 5.015E+04 REV/ 1.000E+09 0.63 3.090E+02 / NC7H16 + O2<=>C7H15-3+HO2 2.800E+13 0.00 5.015E+04 REV/ 1.000E+09 0.63 3.090E+02 / NC7H16 + O2<=>C7H15-4+HO2 1.400E+13 0.00 5.015E+04 REV/ 9.941E+08 0.63 3.090E+02 / ! ! ! NC7H16+C2H5<=>C7H15-1+C2H6 1.000E+11 0.00 1.340E+04 REV/ 3.200E+11 0.00 1.230E+04 / NC7H16+C2H5<=>C7H15-2+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / NC7H16+C2H5<=>C7H15-3+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / NC7H16+C2H5<=>C7H15-4+C2H6 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / NC7H16+CH3O<=>C7H15-1+CH3OH 3.160E+11 0.00 7.000E+03 REV/ 1.200E+10 0.00 9.200E+03 / NC7H16+CH3O<=>C7H15-2+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / NC7H16+CH3O<=>C7H15-3+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / NC7H16+CH3O<=>C7H15-4+CH3OH 1.095E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / NC7H16+C2H3<=>C7H15-1+C2H4 1.000E+12 0.00 1.800E+04 REV/ 2.570E+12 0.00 2.540E+04 / NC7H16+C2H3<=>C7H15-2+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / NC7H16+C2H3<=>C7H15-3+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / NC7H16+C2H3<=>C7H15-4+C2H4 4.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / ! !!HENRY HCT ! NC7H16+CH3O2<=>C7H15-1+CH3O2H 1.386E+00 3.97 1.828E+04 REV/ 1.690E+00 3.46 3.024E+03 / NC7H16+CH3O2<=>C7H15-2+CH3O2H 2.037E+01 3.58 1.481E+04 REV/ 1.562E+00 3.42 2.054E+03 / NC7H16+CH3O2<=>C7H15-3+CH3O2H 2.037E+01 3.58 1.481E+04 REV/ 1.562E+00 3.42 2.054E+03 / NC7H16+CH3O2<=>C7H15-4+CH3O2H 1.019E+01 3.58 1.481E+04 REV/ 1.553E+00 3.42 2.054E+03 / ! ! ! NC7H16 + O2CHO<=>C7H15-1+HO2CHO 1.680E+13 0.00 2.044E+04 REV/ 1.170E+03 2.25 3.057E+03 / NC7H16 + O2CHO<=>C7H15-2+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.482E+01 2.64 2.823E+03 / NC7H16 + O2CHO<=>C7H15-3+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.482E+01 2.64 2.823E+03 / NC7H16 + O2CHO<=>C7H15-4+HO2CHO 5.600E+12 0.00 1.769E+04 REV/ 2.472E+01 2.64 2.823E+03 / NC7H16+C7H15O2-1<=>C7H15-1+C7H15O2H-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-2<=>C7H15-1+C7H15O2H-2 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-3<=>C7H15-1+C7H15O2H-3 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-4<=>C7H15-1+C7H15O2H-4 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-1<=>C7H15-2+C7H15O2H-1 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-2<=>C7H15-2+C7H15O2H-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-3<=>C7H15-2+C7H15O2H-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-4<=>C7H15-2+C7H15O2H-4 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-1<=>C7H15-3+C7H15O2H-1 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-2<=>C7H15-3+C7H15O2H-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-3<=>C7H15-3+C7H15O2H-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-4<=>C7H15-3+C7H15O2H-4 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-1<=>C7H15-4+C7H15O2H-1 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-2<=>C7H15-4+C7H15O2H-2 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-3<=>C7H15-4+C7H15O2H-3 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15O2-4<=>C7H15-4+C7H15O2H-4 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / NC7H16+C7H15-1<=>C7H15-2+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / NC7H16+C7H15-1<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / NC7H16+C7H15-1<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / NC7H16+C7H15-2<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / NC7H16+C7H15-2<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / NC7H16+C7H15-3<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / ! ! ! ! ! ! C7H15-1<=>C5H11-1+C2H4 1.227E+19 -1.91 3.140E+04 REV/ 1.000E+11 0.00 8.200E+03 / C7H15-1<=>C7H14-1+H 9.648E+13 -0.26 3.601E+04 REV/ 1.000E+13 0.00 2.900E+03 / C7H15-2<=>PC4H9+C3H6 9.764E+18 -1.79 3.136E+04 REV/ 1.000E+11 0.00 8.200E+03 / C7H15-2<=>C7H14-1+H 6.067E+12 0.09 3.681E+04 REV/ 1.000E+13 0.00 1.200E+03 / C7H15-2<=>C7H14-2+H 1.229E+13 -0.08 3.564E+04 REV/ 1.000E+13 0.00 2.900E+03 / C7H15-3<=>C4H8-1+NC3H7 6.165E+18 -1.71 3.096E+04 REV/ 1.000E+11 0.00 7.700E+03 / C7H15-3<=>C6H12-1+CH3 2.698E+17 -1.35 3.148E+04 REV/ 1.750E+11 0.00 7.200E+03 / C7H15-3<=>C7H14-2+H 1.229E+13 -0.08 3.564E+04 REV/ 1.000E+13 0.00 2.900E+03 / C7H15-3<=>C7H14-3+H 9.152E+12 -0.02 3.573E+04 REV/ 1.000E+13 0.00 2.900E+03 / C7H15-4<=>C2H5+C5H10-1 1.143E+18 -1.34 3.143E+04 REV/ 1.000E+11 0.00 8.200E+03 / C7H15-4<=>C7H14-3+H 1.819E+13 -0.02 3.573E+04 REV/ 1.000E+13 0.00 2.900E+03 / ! ! ! ! C7H15-1 + O2<=>C7H14-1+HO2 3.000E-09 0.00 3.000E+03 REV/ 6.517E-10 0.18 1.876E+04 / C7H15-2 + O2<=>C7H14-1+HO2 4.500E-09 0.00 5.020E+03 REV/ 1.532E-08 -0.16 1.827E+04 / C7H15-2 + O2<=>C7H14-2+HO2 3.000E-09 0.00 3.000E+03 REV/ 5.040E-09 0.01 1.912E+04 / C7H15-3 + O2<=>C7H14-2+HO2 3.000E-09 0.00 3.000E+03 REV/ 5.040E-09 0.01 1.912E+04 / C7H15-3 + O2<=>C7H14-3+HO2 3.000E-09 0.00 3.000E+03 REV/ 6.769E-09 -0.05 1.903E+04 / C7H15-4 + O2<=>C7H14-3+HO2 6.000E-09 0.00 3.000E+03 REV/ 6.795E-09 -0.05 1.903E+04 / ! ! ! C7H15-1<=>C7H15-3 1.386E+09 0.98 3.376E+04 REV/ 8.716E+07 1.33 3.627E+04 / C7H15-1<=>C7H15-4 2.541E+09 0.35 1.976E+04 REV/ 3.176E+08 0.70 2.227E+04 / C7H15-2<=>C7H15-3 9.587E+08 1.39 3.970E+04 REV/ 9.587E+08 1.39 3.970E+04 / C7H15-1<=>C7H15-2 5.478E+08 1.62 3.876E+04 REV/ 3.445E+07 1.97 4.127E+04 / ! ! C7H14-1+H<=>C7H131-3+H2 3.376E+05 2.36 2.070E+02 REV/ 4.393E+06 2.10 2.062E+04 / C7H14-1+H<=>C7H131-4+H2 1.170E+07 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / C7H14-1+H<=>C7H131-5+H2 1.170E+07 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / C7H14-1+H<=>C7H131-6+H2 1.170E+07 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / C7H14-1+H<=>C7H131-7+H2 6.650E+05 2.54 6.756E+03 REV/ 3.056E+04 2.54 1.132E+04 / C7H14-1 + OH<=>C7H131-3+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.557E+06 2.38 3.365E+04 / C7H14-1 + OH<=>C7H131-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / C7H14-1 + OH<=>C7H131-5+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / C7H14-1 + OH<=>C7H131-6+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / C7H14-1 + OH<=>C7H131-7+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.049E+09 0.97 2.130E+04 / C7H14-1+CH3<=>C7H131-3+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.254E+03 3.05 2.489E+04 / C7H14-1+CH3<=>C7H131-4+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / C7H14-1+CH3<=>C7H131-5+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / C7H14-1+CH3<=>C7H131-6+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / C7H14-1+CH3<=>C7H131-7+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.427E-01 3.65 1.219E+04 / C7H14-1+HO2<=>C7H131-3+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.612E+06 1.96 1.463E+04 / C7H14-1+HO2<=>C7H131-4+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / C7H14-1+HO2<=>C7H131-5+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / C7H14-1+HO2<=>C7H131-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / C7H14-1+HO2<=>C7H131-7+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.811E+04 2.22 4.746E+03 / C7H14-1+CH3O2<=>C7H131-3+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.357E+06 1.79 1.161E+04 / C7H14-1+CH3O2<=>C7H131-4+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / C7H14-1+CH3O2<=>C7H131-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / C7H14-1+CH3O2<=>C7H131-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / C7H14-1+CH3O2<=>C7H131-7+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 5.853E+04 2.04 1.726E+03 / C7H14-1+CH3O<=>C7H131-3+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.510E+02 2.66 2.729E+04 / C7H14-1+CH3O<=>C7H131-4+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / C7H14-1+CH3O<=>C7H131-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / C7H14-1+CH3O<=>C7H131-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / C7H14-1+CH3O<=>C7H131-7+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.808E+09 0.02 9.288E+03 / C7H14-2+H<=>C7H131-3+H2 1.730E+05 2.50 2.492E+03 REV/ 4.561E+06 2.06 2.003E+04 / C7H14-2+H<=>C7H132-4+H2 3.376E+05 2.36 2.070E+02 REV/ 4.400E+06 2.10 2.059E+04 / C7H14-2+H<=>C7H132-5+H2 1.170E+07 2.40 4.471E+03 REV/ 3.843E+03 2.74 1.152E+04 / C7H14-2+H<=>C7H132-6+H2 1.170E+07 2.40 4.471E+03 REV/ 3.843E+03 2.74 1.152E+04 / C7H14-2+H<=>C7H132-7+H2 6.651E+05 2.54 6.756E+03 REV/ 3.149E+04 2.53 1.130E+04 / C7H14-2 + OH<=>C7H131-3+H2O 3.120E+06 2.00 -2.980E+02 REV/ 3.561E+08 1.56 3.240E+04 / C7H14-2 + OH<=>C7H132-4+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.560E+06 2.38 3.362E+04 / C7H14-2 + OH<=>C7H132-5+H2O 4.670E+05 1.61 -3.500E+01 REV/ 5.978E+03 1.95 2.217E+04 / C7H14-2 + OH<=>C7H132-6+H2O 4.670E+05 1.61 -3.500E+01 REV/ 5.978E+03 1.95 2.217E+04 / C7H14-2 + OH<=>C7H132-7+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.080E+09 0.96 2.128E+04 / C7H14-2+CH3<=>C7H131-3+CH4 2.210E+00 3.50 5.675E+03 REV/ 1.522E+03 3.06 2.370E+04 / C7H14-2+CH3<=>C7H132-4+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.256E+03 3.05 2.486E+04 / C7H14-2+CH3<=>C7H132-5+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.166E-01 3.80 1.301E+04 / C7H14-2+CH3<=>C7H132-6+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.166E-01 3.80 1.301E+04 / C7H14-2+CH3<=>C7H132-7+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.591E-01 3.64 1.217E+04 / C7H14-2+HO2<=>C7H131-3+H2O2 9.639E+03 2.60 1.391E+04 REV/ 6.531E+06 1.84 1.514E+04 / C7H14-2+HO2<=>C7H132-4+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.615E+06 1.96 1.460E+04 / C7H14-2+HO2<=>C7H132-5+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.325E+02 2.62 4.652E+03 / C7H14-2+HO2<=>C7H132-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.325E+02 2.62 4.652E+03 / C7H14-2+HO2<=>C7H132-7+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.896E+04 2.21 4.726E+03 / C7H14-2+CH3O2<=>C7H131-3+CH3O2H 9.639E+03 2.60 1.391E+04 REV/ 1.360E+07 1.66 1.212E+04 / C7H14-2+CH3O2<=>C7H132-4+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.362E+06 1.79 1.158E+04 / C7H14-2+CH3O2<=>C7H132-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.525E+03 2.44 1.632E+03 / C7H14-2+CH3O2<=>C7H132-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.525E+03 2.44 1.632E+03 / C7H14-2+CH3O2<=>C7H132-7+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 6.030E+04 2.04 1.706E+03 / C7H14-2+CH3O<=>C7H131-3+CH3OH 9.000E+01 2.95 1.199E+04 REV/ 1.144E+03 2.54 2.780E+04 / C7H14-2+CH3O<=>C7H132-4+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.513E+02 2.66 2.726E+04 / C7H14-2+CH3O<=>C7H132-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.067E+08 0.37 9.891E+03 / C7H14-2+CH3O<=>C7H132-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.067E+08 0.37 9.891E+03 / C7H14-2+CH3O<=>C7H132-7+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.953E+09 0.02 9.268E+03 / C7H14-3+H<=>C7H133-1+H2 6.651E+05 2.54 6.756E+03 REV/ 3.097E+04 2.53 1.126E+04 / C7H14-3+H<=>C7H132-4+H2 3.376E+05 2.36 2.070E+02 REV/ 3.276E+06 2.16 2.068E+04 / C7H14-3+H<=>C7H133-5+H2 3.376E+05 2.36 2.070E+02 REV/ 4.380E+06 2.10 2.056E+04 / C7H14-3+H<=>C7H133-6+H2 1.170E+07 2.40 4.471E+03 REV/ 3.916E+03 2.74 1.149E+04 / C7H14-3+H<=>C7H133-7+H2 6.651E+05 2.54 6.756E+03 REV/ 3.097E+04 2.53 1.126E+04 / C7H14-3 + OH<=>C7H133-1+H2O 1.054E+10 0.97 1.586E+03 REV/ 2.125E+09 0.96 2.124E+04 / C7H14-3 + OH<=>C7H132-4+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.161E+06 2.44 3.371E+04 / C7H14-3 + OH<=>C7H133-5+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.552E+06 2.38 3.359E+04 / C7H14-3 + OH<=>C7H133-6+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.091E+05 1.95 2.214E+04 / C7H14-3 + OH<=>C7H133-7+H2O 1.054E+10 0.97 1.586E+03 REV/ 2.125E+09 0.96 2.124E+04 / C7H14-3+CH3<=>C7H133-1+CH4 9.042E-01 3.65 7.154E+03 REV/ 1.100E+00 3.64 1.213E+04 / C7H14-3+CH3<=>C7H132-4+CH4 3.690E+00 3.31 4.002E+03 REV/ 9.355E+02 3.11 2.495E+04 / C7H14-3+CH3<=>C7H133-5+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.251E+03 3.05 2.483E+04 / C7H14-3+CH3<=>C7H133-6+CH4 1.360E+01 3.46 5.481E+03 REV/ 1.188E-01 3.80 1.298E+04 / C7H14-3+CH3<=>C7H133-7+CH4 9.042E-01 3.65 7.154E+03 REV/ 1.100E+00 3.64 1.213E+04 / C7H14-3+HO2<=>C7H133-1+H2O2 4.760E+04 2.55 1.649E+04 REV/ 5.697E+04 2.22 4.686E+03 / C7H14-3+HO2<=>C7H132-4+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.202E+06 2.03 1.469E+04 / C7H14-3+HO2<=>C7H133-5+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.607E+06 1.96 1.457E+04 / C7H14-3+HO2<=>C7H133-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.464E+02 2.61 4.622E+03 / C7H14-3+HO2<=>C7H133-7+H2O2 4.760E+04 2.55 1.649E+04 REV/ 5.697E+04 2.22 4.686E+03 / C7H14-3+CH3O2<=>C7H133-1+CH3O2H 4.760E+04 2.55 1.649E+04 REV/ 1.186E+05 2.04 1.666E+03 / C7H14-3+CH3O2<=>C7H132-4+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 2.503E+06 1.85 1.167E+04 / C7H14-3+CH3O2<=>C7H133-5+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.346E+06 1.79 1.155E+04 / C7H14-3+CH3O2<=>C7H133-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.554E+03 2.44 1.602E+03 / C7H14-3+CH3O2<=>C7H133-7+CH3O2H 4.760E+04 2.55 1.649E+04 REV/ 1.186E+05 2.04 1.666E+03 / C7H14-3+CH3O<=>C7H133-1+CH3OH 4.340E+11 0.00 6.458E+03 REV/ 9.743E+09 0.02 9.228E+03 / C7H14-3+CH3O<=>C7H132-4+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 1.871E+02 2.73 2.735E+04 / C7H14-3+CH3O<=>C7H133-5+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.502E+02 2.66 2.723E+04 / C7H14-3+CH3O<=>C7H133-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.106E+08 0.37 9.861E+03 / C7H14-3+CH3O<=>C7H133-7+CH3OH 4.340E+11 0.00 6.458E+03 REV/ 9.743E+09 0.02 9.228E+03 / C7H131-3+HO2<=>C7H13O1-3 + OH 9.640E+12 0.00 0.000E+00 C7H131-3+CH3O2<=>C7H13O1-3+CH3O 9.640E+12 0.00 0.000E+00 C7H131-3+C2H5O2<=>C7H13O1-3+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 2.836E+14 -0.68 1.800E+04 / C7H131-3<=>C4H6+NC3H7 1.105E+19 -1.53 4.070E+04 REV/ 8.500E+10 0.00 8.300E+03 / C7H131-4<=>C5H10-1+C2H3 2.492E+12 0.03 3.730E+04 REV/ 8.500E+10 0.00 8.300E+03 / C7H131-4<=>C5H81-3+C2H5 2.289E+14 -0.68 2.205E+04 REV/ 8.500E+10 0.00 8.300E+03 / C7H131-5<=>C4H8-1+C3H5-A 6.177E+15 -1.18 1.798E+04 REV/ 5.000E+10 0.00 8.300E+03 / C7H131-6<=>C3H6+C4H71-4 1.238E+17 -1.17 3.074E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H131-7<=>C2H4+C5H91-5 9.416E+17 -1.56 3.118E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H132-4+HO2<=>C7H13O2-4 + OH 9.640E+12 0.00 0.000E+00 REV/ 4.273E+15 -1.02 1.543E+04 / C7H132-4+CH3O2<=>C7H13O2-4+CH3O 9.640E+12 0.00 0.000E+00 REV/ 4.173E+17 -1.59 2.019E+04 / C7H132-4+C2H5O2<=>C7H13O2-4+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 2.732E+14 -0.67 1.803E+04 / C7H132-5<=>C4H8-1+C3H5-S 9.419E+17 -1.49 4.426E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H132-6<=>C3H6+C4H71-3 2.189E+14 -0.74 1.774E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H132-7<=>C2H4+C5H92-5 9.786E+17 -1.57 3.116E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H133-1<=>C2H4+C5H91-1 1.007E+17 -1.32 4.399E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H133-5+HO2<=>C7H13O3-5 + OH 9.640E+12 0.00 0.000E+00 REV/ 1.182E+15 -0.84 1.527E+04 / C7H133-5+CH3O2<=>C7H13O3-5+CH3O 9.640E+12 0.00 0.000E+00 REV/ 1.155E+17 -1.42 2.003E+04 / C7H133-5+C2H5O2<=>C7H13O3-5+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 7.559E+13 -0.50 1.787E+04 / C7H133-6<=>C3H6+C4H71-1 1.354E+16 -0.92 4.356E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H133-7<=>C2H4+C5H91-3 2.274E+15 -1.20 1.805E+04 REV/ 1.000E+11 0.00 8.300E+03 / C7H13O1-3<=>C2H3CHO+PC4H9 9.625E+19 -1.96 1.085E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H13O1-3<=>NC4H9CHO+C2H3 1.026E+18 -1.51 2.330E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H13O2-4<=>SC3H5CHO+NC3H7 6.319E+19 -1.93 1.113E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H13O2-4<=>NC3H7CHO+C3H5-S 1.012E+22 -2.46 2.919E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H13O3-5<=>C4H7CHO1-1+C2H5 6.033E+18 -1.62 1.045E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H13O3-5<=>C2H5CHO+C4H71-1 6.425E+21 -2.43 3.009E+04 REV/ 1.000E+11 0.00 9.600E+03 / C7H14-1 + OH<=>CH2O+C6H13-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-1 + OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-2 + OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-2 + OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-3 + OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-1+O<=>CH2CHO+C5H11-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-2+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-3+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14-1<=>PC4H9+C3H5-A 3.170E+21 -1.62 7.533E+04 REV/ 1.000E+13 0.00 0.000E+00 / ! !HENRY HCT ! C7H14-2<=>C4H71-3+NC3H7 3.735E+21 -1.74 7.571E+04 REV/ 1.000E+13 0.00 0.000E+00 / ! ! ! C7H14-3<=>C5H91-3+C2H5 5.947E+21 -1.85 7.579E+04 REV/ 1.000E+13 0.00 0.000E+00 / C7H15O2-1<=>C7H15-1 + O2 2.657E+20 -1.67 3.540E+04 REV/ 4.520E+12 0.00 0.000E+00 / C7H15O2-2<=>C7H15-2 + O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H15O2-3<=>C7H15-3 + O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H15O2-4<=>C7H15-4 + O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / ! ! C7H15-1+C7H15O2-1<=>C7H15O-1+C7H15O-1 7.000E+12 0.00 -1.000E+03 REV/ 1.116E+14 -0.23 3.025E+04 / C7H15-1+C7H15O2-2<=>C7H15O-1+C7H15O-2 7.000E+12 0.00 -1.000E+03 REV/ 6.348E+13 -0.16 2.988E+04 / C7H15-1+C7H15O2-3<=>C7H15O-1+C7H15O-3 7.000E+12 0.00 -1.000E+03 REV/ 6.348E+13 -0.16 2.988E+04 / C7H15-1+C7H15O2-4<=>C7H15O-1+C7H15O-4 7.000E+12 0.00 -1.000E+03 REV/ 6.348E+13 -0.16 2.988E+04 / ! ! C7H15-2+C7H15O2-1<=>C7H15O-2+C7H15O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.689E+15 -0.80 3.216E+04 / C7H15-2+C7H15O2-2<=>C7H15O-2+C7H15O-2 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-2+C7H15O2-3<=>C7H15O-2+C7H15O-3 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-2+C7H15O2-4<=>C7H15O-2+C7H15O-4 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-3+C7H15O2-1<=>C7H15O-3+C7H15O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.689E+15 -0.80 3.216E+04 / C7H15-3+C7H15O2-2<=>C7H15O-3+C7H15O-2 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-3+C7H15O2-3<=>C7H15O-3+C7H15O-3 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-3+C7H15O2-4<=>C7H15O-3+C7H15O-4 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-4+C7H15O2-1<=>C7H15O-4+C7H15O-1 7.000E+12 0.00 -1.000E+03 REV/ 9.689E+15 -0.80 3.216E+04 / C7H15-4+C7H15O2-2<=>C7H15O-4+C7H15O-2 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-4+C7H15O2-3<=>C7H15O-4+C7H15O-3 7.000E+12 0.00 -1.000E+03 REV/ 5.510E+15 -0.73 3.179E+04 / C7H15-4+C7H15O2-4<=>C7H15O-4+C7H15O-4 7.000E+12 0.00 -1.000E+03 REV/ 5.511E+15 -0.73 3.179E+04 / ! ! ! C7H15-1+HO2<=>C7H15O-1 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.549E+15 -0.57 2.616E+04 / C7H15-2+HO2<=>C7H15O-2 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / C7H15-3+HO2<=>C7H15O-3 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / C7H15-4+HO2<=>C7H15O-4 + OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / ! C7H15-1+CH3O2<=>C7H15O-1+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 2.220E+14 -0.28 3.040E+04 / C7H15-2+CH3O2<=>C7H15O-2+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / C7H15-3+CH3O2<=>C7H15O-3+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / C7H15-4+CH3O2<=>C7H15O-4+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / ! ! C7H15O2-1<=>C7H14-1+HO2 4.308E+36 -7.50 3.951E+04 !REV/ 9.291E+29 -6.22 2.086E+04 / C7H15O2-2<=>C7H14-1+HO2 5.920E+42 -9.43 4.153E+04 !REV/ 9.596E+32 -7.21 1.707E+04 / C7H15O2-2<=>C7H14-2+HO2 4.308E+36 -7.50 3.951E+04 !REV/ 4.708E+28 -5.74 1.894E+04 / C7H15O2-3<=>C7H14-2+HO2 4.308E+36 -7.50 3.951E+04 !REV/ 4.708E+28 -5.74 1.894E+04 / C7H15O2-3<=>C7H14-3+HO2 4.308E+36 -7.50 3.951E+04 !REV/ 6.323E+28 -5.80 1.885E+04 / C7H15O2-4<=>C7H14-3+HO2 2.009E+39 -8.11 4.249E+04 !REV/ 6.348E+28 -5.80 1.885E+04 / ! ! ! ! ! ! C7H15O2-1<=>C7H14OOH1-2 2.000E+11 0.00 2.645E+04 !REV/ 2.123E+10 -0.11 1.424E+04 / C7H15O2-1<=>C7H14OOH1-3 2.500E+10 0.00 2.045E+04 !REV/ 2.653E+09 -0.11 8.240E+03 / C7H15O2-1<=>C7H14OOH1-4 3.125E+09 0.00 1.865E+04 !REV/ 3.317E+08 -0.11 6.440E+03 / C7H15O2-1<=>C7H14OOH1-5 3.906E+08 0.00 2.165E+04 !REV/ 4.146E+07 -0.11 9.440E+03 / C7H15O2-2<=>C7H14OOH2-1 3.000E+11 0.00 2.900E+04 !REV/ 8.060E+11 -0.52 1.436E+04 / C7H15O2-2<=>C7H14OOH2-3 2.000E+11 0.00 2.645E+04 !1REV/ 2.262E+10 -0.11 1.427E+04 / C7H15O2-2<=>C7H14OOH2-4 2.500E+10 0.00 2.045E+04 !REV/ 2.827E+09 -0.11 8.270E+03 / C7H15O2-2<=>C7H14OOH2-5 3.125E+09 0.00 1.865E+04 !REV/ 3.534E+08 -0.11 6.470E+03 / C7H15O2-2<=>C7H14OOH2-6 3.906E+08 0.00 2.165E+04 !REV/ 4.417E+07 -0.11 9.470E+03 / C7H15O2-3<=>C7H14OOH3-1 3.750E+10 0.00 2.400E+04 !REV/ 1.008E+11 -0.52 9.360E+03 / C7H15O2-3<=>C7H14OOH3-2 2.000E+11 0.00 2.645E+04 !REV/ 2.262E+10 -0.11 1.427E+04 / C7H15O2-3<=>C7H14OOH3-4 2.000E+11 0.00 2.645E+04 !REV/ 2.262E+10 -0.11 1.427E+04 / C7H15O2-3<=>C7H14OOH3-5 2.500E+10 0.00 2.045E+04 !REV/ 2.827E+09 -0.11 8.270E+03 / C7H15O2-3<=>C7H14OOH3-6 3.125E+09 0.00 1.865E+04 !REV/ 3.534E+08 -0.11 6.470E+03 / C7H15O2-3<=>C7H14OOH3-7 5.860E+08 0.00 2.515E+04 !REV/ 1.574E+09 -0.52 1.051E+04 / C7H15O2-4<=>C7H14OOH4-1 9.376E+09 0.00 2.195E+04 !REV/ 2.518E+10 -0.52 7.310E+03 / C7H15O2-4<=>C7H14OOH4-2 5.000E+10 0.00 2.045E+04 !REV/ 5.655E+09 -0.11 8.270E+03 / C7H15O2-4<=>C7H14OOH4-3 4.000E+11 0.00 2.645E+04 !REV/ 4.524E+10 -0.11 1.427E+04 / ! ! ! ! ! C7H15O2-1+HO2<=>C7H15O2H-1 + O2 1.750E+10 0.00 -3.275E+03 REV/ 3.782E+13 -0.79 3.401E+04 / C7H15O2-2+HO2<=>C7H15O2H-2 + O2 1.750E+10 0.00 -3.275E+03 REV/ 4.496E+13 -0.82 3.404E+04 / C7H15O2-3+HO2<=>C7H15O2H-3 + O2 1.750E+10 0.00 -3.275E+03 REV/ 4.496E+13 -0.82 3.404E+04 / C7H15O2-4+HO2<=>C7H15O2H-4 + O2 1.750E+10 0.00 -3.275E+03 REV/ 4.497E+13 -0.82 3.404E+04 / H2O2+C7H15O2-1<=>HO2+C7H15O2H-1 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / H2O2+C7H15O2-2<=>HO2+C7H15O2H-2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / H2O2+C7H15O2-3<=>HO2+C7H15O2H-3 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / H2O2+C7H15O2-4<=>HO2+C7H15O2H-4 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / C7H15O2-1+CH3O2<=>C7H15O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-2+CH3O2<=>C7H15O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-3+CH3O2<=>C7H15O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-4+CH3O2<=>C7H15O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-1+C7H15O2-1<=>O2+C7H15O-1+C7H15O-1 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-1+C7H15O2-2<=>C7H15O-1+C7H15O-2 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-1+C7H15O2-3<=>C7H15O-1+C7H15O-3 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-1+C7H15O2-4<=>C7H15O-1+C7H15O-4 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-2+C7H15O2-2<=>O2+C7H15O-2+C7H15O-2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-2+C7H15O2-3<=>C7H15O-2+C7H15O-3 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-2+C7H15O2-4<=>C7H15O-2+C7H15O-4 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-3+C7H15O2-3<=>O2+C7H15O-3+C7H15O-3 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-3+C7H15O2-4<=>C7H15O-3+C7H15O-4 + O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2-4+C7H15O2-4<=>O2+C7H15O-4+C7H15O-4 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H15O2H-1<=>C7H15O-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 1.989E+07 1.93 -6.522E+03 / C7H15O2H-2<=>C7H15O-2 + OH 1.000E+16 0.00 3.900E+04 REV/ 9.517E+06 2.03 -6.922E+03 / C7H15O2H-3<=>C7H15O-3 + OH 1.000E+16 0.00 3.900E+04 REV/ 9.517E+06 2.03 -6.922E+03 / C7H15O2H-4<=>C7H15O-4 + OH 1.000E+16 0.00 3.900E+04 REV/ 9.516E+06 2.03 -6.922E+03 / ! !HCT HENRY ! C7H15O-1<=>CH2O+C6H13-1 6.023E+20 -2.18 2.483E+04 REV/ 1.000E+11 0.00 1.190E+04 / C7H15O-2<=>CH3CHO+C5H11-1 1.475E+22 -2.55 2.037E+04 REV/ 1.000E+11 0.00 1.290E+04 / C7H15O-3<=>C2H5CHO+PC4H9 6.573E+17 -1.16 1.937E+04 REV/ 1.000E+11 0.00 1.290E+04 / C7H15O-4<=>NC3H7CHO+NC3H7 4.769E+22 -2.58 2.182E+04 REV/ 1.000E+11 0.00 1.290E+04 / ! ! ! C7H14-1+HO2=C7H14OOH1-2 2.50E+03 2.500 1.12E+04 !!!!!BOZZELLI MM C7H14-1+HO2=C7H14OOH2-1 2.70E+03 2.500 1.05E+04 C7H14-2+HO2=C7H14OOH2-3 2.70E+03 2.500 1.05E+04 C7H14-2+HO2=C7H14OOH3-2 2.70E+03 2.500 1.05E+04 C7H14-3+HO2=C7H14OOH3-4 2.70E+03 2.500 1.05E+04 C7H14-3+HO2=C7H14OOH4-3 2.70E+03 2.500 1.05E+04 ! ! ! ! !C7H14OOH1-2<=>C7H14-1+HO2 5.762E+18 -2.00 1.802E+04 !REV/ 1.000E+11 0.00 1.100E+04 / !C7H14OOH2-1<=>C7H14-1+HO2 1.421E+21 -2.72 2.038E+04 !REV/ 1.000E+11 0.00 1.100E+04 / !C7H14OOH2-3<=>C7H14-2+HO2 1.212E+20 -2.48 2.072E+04 !REV/ 1.000E+11 0.00 1.175E+04 / !C7H14OOH3-2<=>C7H14-2+HO2 1.212E+20 -2.48 2.072E+04 !REV/ 1.000E+11 0.00 1.175E+04 / !C7H14OOH3-4<=>C7H14-3+HO2 9.021E+19 -2.42 2.006E+04 !REV/ 1.000E+11 0.00 1.100E+04 / !C7H14OOH4-3<=>C7H14-3+HO2 1.798E+20 -2.42 2.006E+04 !REV/ 1.000E+11 0.00 1.100E+04 / ! ! ! ! ! ! C7H14OOH1-2<=>C7H14O1-2 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH1-3<=>C7H14O1-3 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH1-4<=>C7H14O1-4 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH1-5<=>C7H14O1-5 + OH 1.172E+09 0.00 1.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-1<=>C7H14O1-2 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-3<=>C7H14O2-3 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-4<=>C7H14O2-4 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-5<=>C7H14O2-5 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-6<=>C7H14O2-6 + OH 1.172E+09 0.00 1.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-1<=>C7H14O1-3 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-2<=>C7H14O2-3 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-4<=>C7H14O3-4 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-5<=>C7H14O3-5 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-6<=>C7H14O2-5 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-7<=>C7H14O1-5 + OH 1.172E+09 0.00 1.800E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH4-1<=>C7H14O1-4 + OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH4-2<=>C7H14O2-4 + OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH4-3<=>C7H14O3-4 + OH 6.000E+11 0.00 2.200E+04 REV/ 0.000E+00 0.00 0.000E+00 / ! !HENRY HCT ! C7H14OOH1-3<=>OH+CH2O+C6H12-1 2.147E+09 1.23 3.037E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH2-4<=>OH+CH3CHO+C5H10-1 1.548E+12 0.59 3.009E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-1<=>OH+NC4H9CHO+C2H4 8.182E+13 -0.13 3.133E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH3-5<=>OH+C2H5CHO+C4H8-1 2.661E+13 0.13 3.043E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH4-2<=>OH+NC3H7CHO+C3H6 6.186E+13 0.09 3.084E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH1-3<=>C4H7OOH1-4+NC3H7 1.609E+12 0.54 2.774E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH1-4<=>C5H10-1+C2H4+HO2 1.446E+11 0.69 3.082E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OOH1-4<=>C5H9OOH1-5+C2H5 1.721E+12 0.51 2.790E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH2-4<=>C5H9OOH1-4+C2H5 4.080E+12 0.32 2.923E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH2-5<=>C4H8-1+C3H6OOH2-1 6.856E+13 0.03 3.138E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH2-5<=>C6H11OOH1-5+CH3 7.417E+10 0.75 3.026E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH3-5<=>C6H11OOH1-4+CH3 7.417E+10 0.75 3.026E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH3-6<=>C4H8OOH2-1+C3H6 4.578E+11 0.60 2.917E+04 REV/ 2.200E+03 2.48 6.130E+03 / C7H14OOH4-1<=>C5H10OOH2-1+C2H4 1.643E+12 0.44 2.932E+04 REV/ 2.200E+03 2.48 6.130E+03 / ! ! ! C7H14OOH1-2O2<=>C7H14OOH1-2 + O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH1-3O2<=>C7H14OOH1-3 + O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH1-4O2<=>C7H14OOH1-4 + O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH1-5O2<=>C7H14OOH1-5 + O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH2-1O2<=>C7H14OOH2-1 + O2 3.323E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / C7H14OOH2-3O2<=>C7H14OOH2-3 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH2-4O2<=>C7H14OOH2-4 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH2-5O2<=>C7H14OOH2-5 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH2-6O2<=>C7H14OOH2-6 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH3-1O2<=>C7H14OOH3-1 + O2 3.323E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / C7H14OOH3-2O2<=>C7H14OOH3-2 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH3-4O2<=>C7H14OOH3-4 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH3-5O2<=>C7H14OOH3-5 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH3-6O2<=>C7H14OOH3-6 + O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH3-7O2<=>C7H14OOH3-7 + O2 3.323E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / C7H14OOH4-1O2<=>C7H14OOH4-1 + O2 1.668E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / C7H14OOH4-2O2<=>C7H14OOH4-2 + O2 6.969E+22 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / C7H14OOH4-3O2<=>C7H14OOH4-3 + O2 6.969E+22 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / ! ! ! ! ! ! C7H14OOH1-2O2<=>NC7KET12 + OH 2.000E+11 0.00 2.600E+04 !REV/ 2.881E+04 1.40 4.683E+04 / C7H14OOH1-3O2<=>NC7KET13 + OH 2.500E+10 0.00 2.100E+04 !REV/ 6.874E+02 1.60 4.508E+04 / C7H14OOH1-4O2<=>NC7KET14 + OH 3.125E+09 0.00 1.895E+04 !REV/ 8.593E+01 1.60 4.303E+04 / C7H14OOH1-5O2<=>NC7KET15 + OH 3.906E+08 0.00 2.215E+04 !REV/ 1.074E+01 1.60 4.623E+04 / C7H14OOH2-1O2<=>NC7KET21 + OH 1.000E+11 0.00 2.345E+04 !REV/ 2.453E+03 1.59 4.739E+04 / C7H14OOH2-3O2<=>NC7KET23 + OH 1.000E+11 0.00 2.345E+04 !REV/ 1.798E+03 1.79 4.703E+04 / C7H14OOH2-4O2<=>NC7KET24 + OH 1.250E+10 0.00 1.745E+04 !REV/ 3.361E+01 2.02 4.424E+04 / C7H14OOH2-5O2<=>NC7KET25 + OH 1.563E+09 0.00 1.565E+04 !REV/ 4.202E+00 2.02 4.244E+04 / C7H14OOH2-6O2<=>NC7KET26 + OH 1.953E+08 0.00 1.865E+04 !REV/ 5.251E-01 2.02 4.544E+04 / C7H14OOH3-1O2<=>NC7KET31 + OH 1.250E+10 0.00 1.745E+04 !REV/ 4.250E+01 1.94 4.456E+04 / C7H14OOH3-2O2<=>NC7KET32 + OH 1.000E+11 0.00 2.345E+04 !REV/ 1.220E+03 1.81 4.729E+04 / C7H14OOH3-4O2<=>NC7KET34 + OH 1.000E+11 0.00 2.345E+04 !REV/ 1.220E+03 1.81 4.729E+04 / C7H14OOH3-5O2<=>NC7KET35 + OH 1.250E+10 0.00 1.745E+04 !REV/ 3.361E+01 2.02 4.424E+04 / C7H14OOH3-6O2<=>NC7KET36 + OH 1.563E+09 0.00 1.565E+04 !REV/ 4.202E+00 2.02 4.244E+04 / C7H14OOH3-7O2<=>NC7KET37 + OH 1.953E+08 0.00 1.865E+04 !REV/ 6.640E-01 1.94 4.576E+04 / C7H14OOH4-1O2<=>NC7KET41 + OH 1.563E+09 0.00 1.565E+04 !REV/ 5.314E+00 1.94 4.276E+04 / C7H14OOH4-2O2<=>NC7KET42 + OH 1.250E+10 0.00 1.745E+04 !REV/ 3.361E+01 2.02 4.424E+04 / C7H14OOH4-3O2<=>NC7KET43 + OH 1.000E+11 0.00 2.345E+04 !REV/ 1.220E+03 1.81 4.729E+04 / ! ! ! ! ! ! ! NC7KET12<=>NC5H11CHO+HCO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET13<=>NC4H9CHO+CH2CHO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET14<=>NC3H7CHO+CH2CH2CHO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET15<=>C2H5CHO+C3H6CHO-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET21<=>CH2O+NC5H11CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET23<=>NC4H9CHO+CH3CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET24<=>NC3H7CHO+CH3COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET25<=>C2H5CHO+CH2CH2COCH3 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET26<=>CH3CHO+C3H6COCH3-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET31<=>CH2O+NC4H9COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET32<=>CH3CHO+NC4H9CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET34<=>NC3H7CHO+C2H5CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET35<=>C2H5CHO+C2H5COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET36<=>CH3CHO+C2H5COC2H4P + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET37<=>CH2O+C3H6COC2H5-1 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET41<=>CH2O+NC3H7COC2H4P + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET42<=>CH3CHO+NC3H7COCH2 + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC7KET43<=>C2H5CHO+NC3H7CO + OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-2 + OH<=>PC4H9+C2H3CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-3 + OH<=>C6H12-1+HCO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-4 + OH<=>C5H10-1+CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-5 + OH<=>C4H8-1+CH2CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-3 + OH<=>C2H3COCH3+NC3H7+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-4 + OH<=>CH3CO+C5H10-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-5 + OH<=>CH3COCH2+C4H8-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-6 + OH<=>CH2CH2COCH3+C3H6+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-4 + OH<=>C2H5COC2H3+C2H5+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-5 + OH<=>C2H5CO+C4H8-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-2 + OH<=>CH2CO+C5H11-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-3 + OH<=>C2H4+NC4H9CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-4 + OH<=>C2H4+NC3H7COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-5 + OH<=>C2H4+C2H5COC2H4P+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-3 + OH<=>CH3CHCO+PC4H9+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-4 + OH<=>C3H6+NC3H7CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-5 + OH<=>C3H6+C2H5COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-6 + OH<=>CH3CHO+C5H91-4+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-4 + OH<=>C2H5CHCO+NC3H7+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-5 + OH<=>C2H5CHO+C4H71-2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-2+HO2<=>PC4H9+C2H3CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-3+HO2<=>C6H12-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-4+HO2<=>C5H10-1+CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-5+HO2<=>C4H8-1+CH2CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-3+HO2<=>C2H3COCH3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-4+HO2<=>CH3CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-5+HO2<=>CH3COCH2+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-6+HO2<=>CH2CH2COCH3+C3H6+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-4+HO2<=>C2H5COC2H3+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-5+HO2<=>C2H5CO+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-2+HO2<=>CH2CO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-3+HO2<=>C2H4+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-4+HO2<=>C2H4+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O1-5+HO2<=>C2H4+C2H5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-3+HO2<=>CH3CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-4+HO2<=>C3H6+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-5+HO2<=>C3H6+C2H5COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O2-6+HO2<=>CH3CHO+C5H91-4+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-4+HO2<=>C2H5CHCO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14O3-5+HO2<=>C2H5CHO+C4H71-2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OH-1<=>C7H14-1 + OH 5.430E+14 -0.53 2.783E+04 REV/ 1.000E+12 0.00 -1.042E+03 / O2C7H14OH-1<=>C7H14OH-1 + O2 2.983E+21 -1.98 3.782E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C7H14OH-1<=>NC5H11CHO+CH2O + OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OH-2<=>C7H14-2 + OH 1.044E+16 -1.00 2.940E+04 REV/ 1.000E+12 0.00 -1.042E+03 / O2C7H14OH-2<=>C7H14OH-2 + O2 4.775E+21 -2.06 3.786E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C7H14OH-1<=>NC4H9CHO+CH3CHO + OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / C7H14OH-3<=>C7H14-3 + OH 7.773E+15 -0.93 2.949E+04 REV/ 1.000E+12 0.00 -1.042E+03 / O2C7H14OH-3<=>C7H14OH-3 + O2 4.775E+21 -2.06 3.786E+04 REV/ 2.000E+12 0.00 0.000E+00 / O2C7H14OH-3<=>NC3H7CHO+C2H5CHO + OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / NC5H11CHO + O2<=>NC5H11CO+HO2 2.000E+13 0.50 4.220E+04 REV/ 1.000E+07 0.00 4.000E+04 / NC5H11CHO + OH<=>NC5H11CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 1.740E+10 0.76 3.120E+04 / NC5H11CHO+H<=>NC5H11CO+H2 4.000E+13 0.00 4.200E+03 REV/ 1.800E+13 0.00 2.400E+04 / NC5H11CHO+O<=>NC5H11CO + OH 5.000E+12 0.00 1.790E+03 REV/ 1.000E+12 0.00 1.900E+04 / NC5H11CHO+HO2<=>NC5H11CO+H2O2 2.800E+12 0.00 1.360E+04 REV/ 1.000E+12 0.00 1.000E+04 / NC5H11CHO+CH3<=>NC5H11CO+CH4 1.700E+12 0.00 8.440E+03 REV/ 1.500E+13 0.00 2.800E+04 / NC5H11CHO+CH3O<=>NC5H11CO+CH3OH 1.150E+11 0.00 1.280E+03 REV/ 3.000E+11 0.00 1.800E+04 / NC5H11CHO+CH3O2<=>NC5H11CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV/ 2.500E+10 0.00 1.000E+04 / NC5H11CHO + OH<=>C5H10CHO-1+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.071E+09 0.96 2.101E+04 / NC5H11CHO + OH<=>C5H10CHO-2+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.752E+06 1.85 2.388E+04 / NC5H11CHO + OH<=>C5H10CHO-3+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.752E+06 1.85 2.388E+04 / NC5H11CHO + OH<=>C5H10CHO-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.752E+06 1.85 2.388E+04 / NC5H11CHO + OH<=>C5H10CHO-5+H2O 4.670E+07 1.61 -3.500E+01 REV/ 3.317E+09 1.25 3.084E+04 / NC5H11CO<=>C5H11-1+CO 1.000E+11 0.00 9.600E+03 REV/ 1.000E+11 0.00 0.000E+00 / NC5H11CHO+HO2<=>C5H10CHO-1+H2O2 2.760E+04 2.55 1.648E+04 REV/ 3.330E+04 2.22 4.442E+03 / NC5H11CHO+HO2<=>C5H10CHO-2+H2O2 1.475E+04 2.60 1.391E+04 REV/ 3.285E+03 2.51 6.362E+03 / NC5H11CHO+HO2<=>C5H10CHO-3+H2O2 1.475E+04 2.60 1.391E+04 REV/ 3.285E+03 2.51 6.362E+03 / NC5H11CHO+HO2<=>C5H10CHO-4+H2O2 1.475E+04 2.60 1.391E+04 REV/ 3.285E+03 2.51 6.362E+03 / NC5H11CHO+HO2<=>C5H10CHO-5+H2O2 2.950E+04 2.60 1.391E+04 REV/ 1.244E+07 1.91 1.332E+04 / NC5H11CHO+CH3O2<=>C5H10CHO-1+CH3O2H 6.030E+12 0.00 1.938E+04 REV/ 2.990E+13 -0.51 6.617E+03 / NC5H11CHO+CH3O2<=>C5H10CHO-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.821E+12 -0.26 8.784E+03 / NC5H11CHO+CH3O2<=>C5H10CHO-3+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.821E+12 -0.26 8.784E+03 / NC5H11CHO+CH3O2<=>C5H10CHO-4+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.821E+12 -0.26 8.784E+03 / NC5H11CHO+CH3O2<=>C5H10CHO-5+CH3O2H 3.980E+12 0.00 1.705E+04 REV/ 6.897E+15 -0.86 1.574E+04 / C5H10CHO-1<=>C2H4+C3H6CHO-1 2.680E+18 -1.58 3.041E+04 REV/ 2.500E+11 0.00 7.800E+03 / C5H10CHO-2<=>C3H6+CH2CH2CHO 9.380E+17 -1.31 3.197E+04 REV/ 1.000E+11 0.00 7.800E+03 / C5H10CHO-3<=>C4H8-1+CH2CHO 6.270E+16 -1.43 2.599E+04 REV/ 1.000E+11 0.00 7.800E+03 / C5H10CHO-3<=>C4H7CHO1-4+CH3 2.373E+14 -0.56 3.132E+04 REV/ 1.000E+11 0.00 7.800E+03 / C5H10CHO-4<=>AC3H5CHO+C2H5 7.188E+17 -1.37 3.323E+04 REV/ 1.000E+11 0.00 7.800E+03 / C5H10CHO-4<=>C5H10-1+HCO 1.057E+14 -0.41 2.633E+04 REV/ 1.000E+11 0.00 7.800E+03 / C5H10CHO-5<=>C2H3CHO+NC3H7 1.564E+19 -1.53 3.331E+04 REV/ 1.000E+11 0.00 7.800E+03 / C4H7CHO1-4 + OH<=>C4H7CO1-4+H2O 3.370E+12 0.00 -6.160E+02 REV/ 2.398E+12 -0.02 3.094E+04 / C4H7CHO1-4 + OH<=>C4H6CHO1-43+H2O 2.080E+06 2.00 -2.980E+02 REV/ 1.187E+08 1.74 3.498E+04 / C4H7CHO1-4 + OH<=>C4H6CHO1-44+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.502E+09 1.31 2.890E+04 / C4H7CHO1-4 + OH<=>CH3CHO+CH2CH2CHO 1.000E+11 0.00 0.000E+00 REV/ 5.344E+06 0.97 1.926E+04 / C4H7CHO1-4+HO2<=>C4H7CO1-4+H2O2 1.000E+12 0.00 1.192E+04 REV/ 4.225E+12 -0.35 1.201E+04 / C4H7CHO1-4+HO2<=>C4H6CHO1-43+H2O2 9.640E+03 2.60 1.391E+04 REV/ 3.265E+06 2.01 1.773E+04 / C4H7CHO1-4+HO2<=>C4H6CHO1-44+H2O2 1.475E+04 2.60 1.391E+04 REV/ 2.815E+06 1.97 1.138E+04 / C4H7CHO1-4+CH3O2<=>C4H7CO1-4+CH3O2H 2.800E+12 0.00 1.360E+04 REV/ 4.861E+13 -0.52 1.297E+04 / C4H7CHO1-4+CH3O2<=>C4H6CHO1-43+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 2.770E+15 -0.77 2.015E+04 / C4H7CHO1-4+CH3O2<=>C4H6CHO1-44+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.561E+15 -0.80 1.380E+04 / C4H7CO1-4<=>C4H71-4+CO 7.372E+18 -1.76 1.523E+04 REV/ 1.500E+11 0.00 4.810E+03 / C4H6CHO1-43<=>C4H6+HCO 4.834E+15 -0.79 3.354E+04 REV/ 1.000E+11 0.00 7.800E+03 / C4H6CHO1-44<=>C2H3CHO+C2H3 2.118E+14 -0.39 3.716E+04 REV/ 1.000E+11 0.00 7.800E+03 / NC4H9COCH3 + OH<=>C4H8COCH3-1+H2O 2.065E+07 1.73 7.530E+02 REV/ 4.278E+06 1.72 2.019E+04 / NC4H9COCH3 + OH<=>C4H8COCH3-2+H2O 3.615E+07 1.64 -2.470E+02 REV/ 3.070E+05 2.04 2.163E+04 / NC4H9COCH3 + OH<=>C4H8COCH3-3+H2O 3.615E+07 1.64 -2.470E+02 REV/ 3.070E+05 2.04 2.163E+04 / NC4H9COCH3 + OH<=>C4H8COCH3-4+H2O 8.450E+11 0.00 -2.280E+02 REV/ 1.633E+13 -0.23 2.864E+04 / NC4H9COCH3 + OH<=>NC4H9COCH2+H2O 5.100E+11 0.00 1.192E+03 REV/ 6.786E+13 -0.70 2.768E+04 / NC4H9COCH3+HO2<=>C4H8COCH3-1+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.927E+04 2.21 4.462E+03 / NC4H9COCH3+HO2<=>C4H8COCH3-2+H2O2 5.600E+12 0.00 1.770E+04 REV/ 2.823E+11 0.07 8.112E+03 / NC4H9COCH3+HO2<=>C4H8COCH3-3+H2O2 5.600E+12 0.00 1.770E+04 REV/ 2.823E+11 0.07 8.112E+03 / NC4H9COCH3+HO2<=>C4H8COCH3-4+H2O2 2.000E+11 0.00 8.698E+03 REV/ 2.294E+13 -0.56 6.100E+03 / NC4H9COCH3+HO2<=>NC4H9COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV/ 1.880E+07 1.52 9.712E+03 / NC4H9COCH3+CH3O2<=>C4H8COCH3-1+CH3O2H 3.010E+12 0.00 1.938E+04 REV/ 1.521E+13 -0.51 6.627E+03 / NC4H9COCH3+CH3O2<=>C4H8COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 4.123E+11 -0.11 6.744E+03 / NC4H9COCH3+CH3O2<=>C4H8COCH3-3+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 4.123E+11 -0.11 6.744E+03 / NC4H9COCH3+CH3O2<=>C4H8COCH3-4+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 9.429E+14 -0.73 1.193E+04 / NC4H9COCH3+CH3O2<=>NC4H9COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV/ 9.770E+15 -1.21 1.188E+04 / C4H8COCH3-1<=>CH2CH2COCH3+C2H4 1.133E+18 -1.59 3.091E+04 REV/ 1.000E+11 0.00 8.300E+03 / C4H8COCH3-2<=>C3H6+CH3COCH2 3.175E+15 -0.79 2.622E+04 REV/ 1.000E+11 0.00 8.300E+03 / C4H8COCH3-3<=>C4H8-1+CH3CO 1.714E+18 -1.61 2.825E+04 REV/ 1.000E+11 0.00 9.800E+03 / C4H8COCH3-4<=>C2H3COCH3+C2H5 4.691E+19 -1.61 3.375E+04 REV/ 1.000E+11 0.00 8.300E+03 / NC4H9COCH2<=>PC4H9+CH2CO 1.554E+18 -1.41 4.314E+04 REV/ 1.000E+11 0.00 1.160E+04 / C4H7OOH1-4<=>C4H7O1-4 + OH 2.021E+20 -1.53 4.704E+04 REV/ 2.000E+13 0.00 0.000E+00 / C5H9OOH1-4<=>C5H9O1-4 + OH 1.178E+20 -1.38 4.605E+04 REV/ 2.000E+13 0.00 0.000E+00 / C5H9OOH1-5<=>C5H9O1-5 + OH 1.594E+20 -1.50 4.699E+04 REV/ 2.000E+13 0.00 0.000E+00 / C6H11OOH1-4<=>C6H11O1-4 + OH 1.234E+20 -1.39 4.605E+04 REV/ 2.000E+13 0.00 0.000E+00 / C6H11OOH1-5<=>C6H11O1-5 + OH 1.234E+20 -1.39 4.605E+04 REV/ 2.000E+13 0.00 0.000E+00 / C4H7O1-4<=>CH2O+C3H5-A 2.412E+16 -1.14 7.550E+03 REV/ 1.000E+11 0.00 1.190E+04 / C5H9O1-4<=>CH3CHO+C3H5-A 7.715E+20 -2.43 5.890E+03 REV/ 5.000E+10 0.00 9.600E+03 / C5H9O1-4<=>AC3H5CHO+CH3 1.112E+17 -1.21 1.796E+04 REV/ 1.000E+11 0.00 9.600E+03 / C5H9O1-5<=>CH2O+C4H71-4 4.310E+17 -1.33 1.794E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O1-4<=>AC3H5CHO+C2H5 7.268E+20 -2.10 1.887E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O1-4<=>C2H5CHO+C3H5-A 1.211E+21 -2.46 5.641E+03 REV/ 5.000E+10 0.00 9.600E+03 / C6H11O1-5<=>C4H7CHO1-4+CH3 2.399E+17 -1.30 1.696E+04 REV/ 1.000E+11 0.00 9.600E+03 / C6H11O1-5<=>CH3CHO+C4H71-4 1.999E+22 -2.58 1.853E+04 REV/ 1.000E+11 0.00 9.600E+03 / C5H91-1<=>C2H2+NC3H7 2.755E+15 -0.67 3.080E+04 REV/ 2.000E+11 0.00 7.800E+03 / C4H7CHO1-1 + OH<=>C4H7CO1-1+H2O 3.370E+12 0.00 -6.160E+02 REV/ 5.203E+12 0.03 3.680E+04 / C4H7CHO1-1 + OH<=>C4H6CHO1-14+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.067E+09 0.96 2.102E+04 / C4H7CHO1-1 + OH<=>C4H6CHO1-13+H2O 3.120E+06 2.00 -2.980E+02 REV/ 1.251E+08 1.79 3.493E+04 / C4H7CHO1-1 + OH<=>C2H5CHO+CH2CHO 1.000E+11 0.00 0.000E+00 REV/ 1.076E+07 1.10 1.702E+04 / C4H7CHO1-1+HO2<=>C4H7CO1-1+H2O2 1.000E+12 0.00 1.192E+04 REV/ 9.165E+12 -0.30 1.787E+04 / C4H7CHO1-1+HO2<=>C4H6CHO1-14+H2O2 2.760E+04 2.55 1.648E+04 REV/ 3.317E+04 2.22 4.452E+03 / C4H7CHO1-1+HO2<=>C4H6CHO1-13+H2O2 9.640E+03 2.60 1.391E+04 REV/ 2.295E+06 2.06 1.768E+04 / C4H7CHO1-1+CH3O2<=>C4H7CO1-1+CH3O2H 2.800E+12 0.00 1.360E+04 REV/ 1.055E+14 -0.47 1.883E+04 / C4H7CHO1-1+CH3O2<=>C4H6CHO1-14+CH3O2H 6.030E+12 0.00 1.938E+04 REV/ 2.978E+13 -0.51 6.627E+03 / C4H7CHO1-1+CH3O2<=>C4H6CHO1-13+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.947E+15 -0.72 2.010E+04 / C4H7CO1-1<=>C4H71-1+CO 8.510E+20 -2.12 4.032E+04 REV/ 1.500E+11 0.00 4.810E+03 / C4H6CHO1-14<=>C2H4+CHCHCHO 9.050E+16 -1.33 4.687E+04 REV/ 8.000E+10 0.00 1.140E+04 / C4H6CHO1-13<=>C4H6+HCO 8.954E+17 -1.28 4.623E+04 REV/ 8.000E+10 0.00 1.140E+04 / NC3H7COC2H5 + OH<=>C3H6COC2H5-1+H2O 2.065E+07 1.73 7.530E+02 REV/ 5.173E+06 1.70 2.022E+04 / NC3H7COC2H5 + OH<=>C3H6COC2H5-2+H2O 3.615E+07 1.64 -2.470E+02 REV/ 7.233E+05 1.92 2.176E+04 / NC3H7COC2H5 + OH<=>C3H6COC2H5-3+H2O 8.450E+11 0.00 -2.280E+02 REV/ 3.313E+13 -0.32 2.874E+04 / NC3H7COC2H5 + OH<=>NC3H7COC2H4P+H2O 5.100E+11 0.00 1.192E+03 REV/ 1.278E+11 -0.03 2.066E+04 / NC3H7COC2H5 + OH<=>NC3H7COC2H4S+H2O 8.450E+11 0.00 -2.280E+02 REV/ 3.313E+13 -0.32 2.874E+04 / NC3H7COC2H5+HO2<=>C3H6COC2H5-1+H2O2 2.380E+04 2.55 1.649E+04 REV/ 3.539E+04 2.19 4.492E+03 / NC3H7COC2H5+HO2<=>C3H6COC2H5-2+H2O2 5.600E+12 0.00 1.770E+04 REV/ 6.652E+11 -0.05 8.242E+03 / NC3H7COC2H5+HO2<=>C3H6COC2H5-3+H2O2 2.000E+11 0.00 8.698E+03 REV/ 4.654E+13 -0.65 6.200E+03 / NC3H7COC2H5+HO2<=>NC3H7COC2H4P+H2O2 2.380E+04 2.55 1.469E+04 REV/ 3.539E+04 2.19 2.692E+03 / NC3H7COC2H5+HO2<=>NC3H7COC2H4S+H2O2 2.000E+11 0.00 8.698E+03 REV/ 4.654E+13 -0.65 6.200E+03 / NC3H7COC2H5+CH3O2<=>C3H6COC2H5-1+CH3O2H 3.010E+12 0.00 1.938E+04 REV/ 1.839E+13 -0.54 6.657E+03 / NC3H7COC2H5+CH3O2<=>C3H6COC2H5-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 9.713E+11 -0.22 6.874E+03 / NC3H7COC2H5+CH3O2<=>C3H6COC2H5-3+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 1.913E+15 -0.83 1.203E+04 / NC3H7COC2H5+CH3O2<=>NC3H7COC2H4P+CH3O2H 3.010E+12 0.00 1.758E+04 REV/ 1.839E+13 -0.54 4.862E+03 / NC3H7COC2H5+CH3O2<=>NC3H7COC2H4S+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 1.913E+15 -0.83 1.203E+04 / C3H6COC2H5-1<=>C2H4+C2H5COCH2 2.218E+15 -0.84 2.359E+04 REV/ 2.500E+11 0.00 7.800E+03 / C3H6COC2H5-2<=>C3H6+C2H5CO 4.051E+16 -1.11 2.615E+04 REV/ 1.000E+11 0.00 8.300E+03 / C3H6COC2H5-3<=>C2H5COC2H3+CH3 2.915E+15 -0.68 3.230E+04 REV/ 1.000E+11 0.00 7.800E+03 / NC3H7COC2H4P<=>NC3H7CO+C2H4 5.398E+17 -1.45 2.604E+04 REV/ 2.500E+11 0.00 7.800E+03 / NC3H7COC2H4S<=>CH3CHCO+NC3H7 1.973E+19 -1.49 4.286E+04 REV/ 1.000E+11 0.00 1.060E+04 / CHCHCHO + OH<=>CH2CHO+HCO 1.000E+12 0.00 0.000E+00 REV/ 2.719E+11 0.29 3.620E+04 / ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! HEXENE MODULE ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! O2+C6H12-1=>CH2O+NC4H9CHO .1000E+15 .000 37000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 1 INITIATIONS ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! C6H12-1<=>C3H6+C3H6 4.000E+12 0.00 5.800E+04 !! ! ! ! !C6H12-1<=>NC3H7+C3H5-A 2.500E+16 0.00 7.100E+04 C6H111-3+H<=>C6H12-1 1.000E+14 0.00 0.000E+00 C5H91-5+CH3<=>C6H12-1 1.000E+13 0.00 0.000E+00 PC4H9+C2H3<=>C6H12-1 1.000E+13 0.00 0.000E+00 !!1988TS-887 C4H71-4+C2H5<=>C6H12-1 8.000E+12 0.00 0.000E+00 ! ! C6H111-3+H<=>C6H12-2 1.000E+14 0.00 0.000E+00 C6H112-4+H<=>C6H12-2 1.000E+14 0.00 0.000E+00 C5H92-5+CH3<=>C6H12-2 1.000E+13 0.00 0.000E+00 NC3H7+C3H5-T<=>C6H12-2 1.000E+13 0.00 0.000E+00 ! ! C6H112-4+H<=>C6H12-3 1.000E+14 0.00 0.000E+00 C4H71-1+C2H5<=>C6H12-3 1.000E+13 0.00 0.000E+00 ! ! ! !ADDED... MM ! ! C6H12-1 + O2<=>C6H111-3+HO2 2.200E+12 0.00 3.722E+04 ! C6H12-1 + O2<=>C6H111-4+HO2 2.000E+13 0.00 4.964E+04 C6H12-1 + O2<=>C6H111-5+HO2 2.000E+13 0.00 4.964E+04 C6H12-1 + O2<=>C6H111-6+HO2 3.000E+13 0.00 5.229E+04 ! C6H12-1+O<=>C6H111-3 + OH 6.600E+05 2.43 1.210E+03 C6H12-1+O<=>C6H111-4 + OH 5.510E+05 2.45 2.830E+03 C6H12-1+O<=>C6H111-5 + OH 5.510E+05 2.45 2.830E+03 C6H12-1+O<=>C6H111-6 + OH 9.800E+05 2.43 4.750E+03 ! ! C6H12-2 + O2<=>C6H111-3+HO2 5.500E+12 0.00 3.990E+04 C6H12-2 + O2<=>C6H112-4+HO2 2.200E+12 0.00 3.722E+04 C6H12-2 + O2<=>C6H112-5+HO2 2.000E+13 0.00 4.964E+04 C6H12-2 + O2<=>C6H112-6+HO2 3.000E+13 0.00 5.229E+04 ! C6H12-2+O<=>C6H111-3 + OH 4.410E+05 2.42 3.150E+03 C6H12-2+O<=>C6H112-4 + OH 6.600E+05 2.43 1.210E+03 C6H12-2+O<=>C6H112-5 + OH 5.510E+05 2.45 2.830E+03 C6H12-2+O<=>C6H112-6 + OH 9.800E+05 2.43 4.750E+03 ! ! C6H12-3 + O2<=>C6H112-4+HO2 4.400E+12 0.00 3.722E+04 C6H12-3 + O2<=>C6H113-1+HO2 6.000E+13 0.00 5.229E+04 ! C6H12-3+O<=>C6H112-4 + OH 1.320E+06 2.43 1.210E+03 C6H12-3+O<=>C6H113-1 + OH 1.960E+06 2.43 4.750E+03 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 3 BETA-DECOMPOSITION ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! C2H5+C4H6=C6H111-3 8.500E+10 0.000 8300.0 ! CH3+C5H81-4=C6H111-4 1.000E+11 0.000 7800.0 ! C3H5-A+C3H6=C6H111-5 4.000E+11 0.000 16900.0 !MM 1996B-R/M-R829-847 !!!! *2 -1000 ! C4H71-4+C2H4=C6H111-6 1.000E+11 0.000 8200.0 ! ! CH3+C5H81-3=C6H112-4 6.000E+10 0.000 7500.0 !MM 1988PER/RIC621 ! C3H5-T+C3H6=C6H112-5 6.300E+11 0.000 3100.0 ! C4H71-3+C2H4=C6H112-6 4.000E+11 0.000 13050.0 !MM 2004S-E/REY426-444 ! ! C4H71-1+C2H4=C6H113-1 6.300E+11 0.000 3100.0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 5 ISOMERIZATION ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! C6H111-6<=>C6H111-4 3.80E+10 0.670 3.600E+04 C6H111-6<=>C6H111-5 3.56E+10 0.880 3.730E+04 ! ! C6H112-6<=>C6H112-4 3.80E+10 0.670 2.840E+04 C6H112-6<=>C6H112-5 3.56E+10 0.880 3.730E+04 ! ! C6H113-1<=>C6H112-4 3.56E+10 0.880 2.960E+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 7 OH ADDITION ON // ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 10 O2 ADDITION ON R ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !O2 -DDITION ! C6H111-3 + O2=C6H112O2-1 .2000E+13 .000 .0 C6H111-3 + O2=C6H111O2-3 .2000E+13 .000 .0 C6H111-4 + O2=C6H111O2-4 .7540E+13 .000 .0 C6H111-5 + O2=C6H111O2-5 .7540E+13 .000 .0 C6H111-6 + O2=C6H111O2-6 .4520E+13 .000 .0 ! C6H112-4 + O2=C6H113O2-2 .2000E+13 .000 .000 C6H112-4 + O2=C6H112O2-4 .2000E+13 .000 .000 C6H112-5 + O2=C6H112O2-5 .7540E+13 .000 .0 C6H112-6 + O2=C6H112O2-6 .4520E+13 .000 .0 ! C6H113-1 + O2=C6H113O2-1 .4520E+13 .000 .0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 12II DIRECT ELIMINATION HO2 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! C6H111O2-3=>C6H101-3+HO2 10.040E+38 -8.11 4.05E+04 C6H111O2-4=>C6H101-3+HO2 2.040E+38 -8.11 3.85E+04 C6H111O2-5=>C6H101-4+HO2 10.040E+38 -8.11 4.05E+04 ! C6H111O2-6=>C6H101-5+HO2 10.040E+38 -8.11 4.05E+04 ! C6H111O2-5=>C6H101-5+HO2 10.080E+42 -9.41 4.15E+04 ! ! C6H112O2-4=>C6H101-3+HO2 5.040E+38 -8.11 4.05E+04 ! C6H112O2-5=>C6H102-4+HO2 1.040E+38 -8.11 3.75E+04 C6H112O2-6=>C6H101-4+HO2 5.040E+38 -8.11 4.05E+04 ! ! ! C6H113O2-2=>C6H101-3+HO2 5.080E+42 -9.41 4.15E+04 C6H113O2-1=>C6H101-3+HO2 1.040E+38 -8.11 3.75E+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 12I ROO ISOMERIZATION ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !PEROXY R-D. ISOMERIZTION TO ALK.HYDROPEROXY ! C6H111O2-3=C6H101OOH3-4 2.000E+11 0.000 2.645E+04 C6H111O2-3=C6H101OOH3-5 2.500E+10 0.000 2.045E+04 C6H111O2-3=C6H101OOH3-6 9.376E+09 0.000 2.195E+04 C6H111O2-4=C6H101OOH4-3 2.000E+11 0.000 2.445E+04 !! -2000 C6H111O2-4=C6H101OOH4-5 2.000E+11 0.000 2.645E+04 C6H111O2-4=C6H101OOH4-6 3.750E+10 0.000 2.400E+04 C6H111O2-5=C6H101OOH5-3 2.500E+10 0.000 1.845E+04 !! -2000 C6H111O2-5=C6H101OOH5-4 2.000E+11 0.000 2.645E+04 C6H111O2-5=C6H101OOH5-6 3.000E+11 0.000 2.900E+04 C6H111O2-6=C6H101OOH6-3 3.125E+09 0.000 1.665E+04 !! -2000 C6H111O2-6=C6H101OOH6-4 2.500E+10 0.000 2.045E+04 C6H111O2-6=C6H101OOH6-5 2.000E+11 0.000 2.645E+04 ! ! ! C6H112O2-4=C6H102OOH4-5 2.00E+11 0.000 2.645E+04 C6H112O2-4=C6H102OOH4-6 3.75E+10 0.000 2.400E+04 C6H112O2-5=C6H102OOH5-4 2.00E+11 0.000 2.445E+04 !! -2000 C6H112O2-5=C6H102OOH5-6 3.00E+11 0.000 2.900E+04 C6H112O2-6=C6H102OOH6-4 2.500E+10 0.000 1.845E+04 !! -2000 C6H112O2-6=C6H102OOH6-5 2.00E+11 0.000 2.645E+04 ! ! ! C6H113O2-1=C6H103OOH1-2 2.000E+11 0.000 2.445E+04 !! -2000 C6H113O2-2=C6H103OOH2-1 3.00E+11 0.000 2.900E+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 19 ETEROCYCLE FORMATION ! OX-NE NOT INCLUDED ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !ETEROCYCLE FORM-TION (COMPLETE LIST) (X -LL) ! C6H101OOH3-4=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H101OOH3-5=>MVOX + OH 7.500E+10 0.000 15250.0 C6H101OOH3-4=>VTHF + OH 9.375E+09 0.000 07000.0 C6H101OOH4-3=>EDHF + OH 9.375E+09 0.000 07000.0 !MM 9.375E+09 C6H101OOH4-3=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM 6.000E+11 C6H101OOH4-5=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H101OOH4-6=>ETES1 + OH 7.500E+10 0.000 15250.0 C6H101OOH5-3=>MVOX + OH 7.500E+10 0.000 15250.0 !MM 7.500E+10 C6H101OOH5-4=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H101OOH5-6=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H101OOH6-3=>VTHF + OH 9.375E+09 0.000 07000.0 !MM C6H101OOH6-4=>ETES1 + OH 7.500E+10 0.000 15250.0 C6H101OOH6-5=>ETES1 + OH 6.000E+11 0.000 22000.0 !C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS ! ! C6H102OOH4-5=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H102OOH4-6=>ETES1 + OH 7.500E+10 0.000 15250.0 C6H102OOH5-4=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM C6H102OOH5-6=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H102OOH6-4=>ETES1 + OH 7.500E+10 0.000 15250.0 !MM C6H102OOH6-5=>ETES1 + OH 6.000E+11 0.000 22000.0 !C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS ! ! C6H103OOH2-1=>ETES1 + OH 6.000E+11 0.000 22000.0 C6H103OOH1-2=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM !C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 20 HO2 + DIOLEFIN FORMATION ! -A> HO2 -DDITION ON DIENES ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! HO2+C6H101-3<=>C6H101OOH3-4 4.85E+11 0.000 1.00E+04 HO2+C6H101-3<=>C6H101OOH4-3 4.85E+11 0.000 0.90E+04 HO2+C6H101-4<=>C6H101OOH4-5 3.40E+11 0.000 1.18E+04 !MM /2 HO2+C6H101-4<=>C6H101OOH5-4 3.40E+11 0.000 1.18E+04 !MM /2 HO2+C6H101-5<=>C6H101OOH5-6 1.00E+12 0.000 1.37E+04 HO2+C6H101-5<=>C6H101OOH6-5 1.00E+12 0.000 1.37E+04 ! ! HO2+C6H102-4<=>C6H102OOH4-5 3.80E+11 0.000 8.80E+03 HO2+C6H102-4<=>C6H102OOH5-4 3.80E+11 0.000 7.80E+03 HO2+C6H101-4<=>C6H102OOH5-6 1.00E+12 0.000 1.37E+04 HO2+C6H101-4<=>C6H102OOH6-5 1.00E+12 0.000 1.37E+04 ! ! HO2+C6H101-3<=>C6H103OOH2-1 4.85E+11 0.000 1.00E+04 HO2+C6H101-3<=>C6H103OOH1-2 4.85E+11 0.000 0.90E+04 ! ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 20B HO2 + OLEFIN FORMATION ! -A> HO2 -DDITION ON HEXENES ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! C6H12-1+HO2<=>C6H12OOH1-2 1.00E+12 0.000 1.37E+04 C6H12-1+HO2<=>C6H12OOH2-1 1.00E+12 0.000 1.37E+04 ! C6H12-2+HO2<=>C6H12OOH2-3 6.80E+11 0.000 1.18E+04 C6H12-2+HO2<=>C6H12OOH3-2 6.80E+11 0.000 1.18E+04 ! C6H12-3+HO2<=>C6H12OOH3-4 6.80E+11 0.000 1.18E+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 21 QOOH DECOMPOSITIONS ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !BET-ADECOMPOSITION ! C6H101OOH3-4=>CH3+AC3H5OOH+C2H2 .3000E+14 .000 33500.0 C6H101OOH3-5=>OH+C3H6+C2H3CHO .3000E+14 .000 23000.0 C6H101OOH3-6=>HO2+C4H6+C2H4 .3000E+14 .000 30000.0 C6H101OOH4-3=>C2H5+CH3O2H+C3H2 .1000E+14 .000 35000.0 C6H101OOH4-5=>C3H5-A+AC3H5OOH .3000E+14 .000 23000.0 C6H101OOH4-6=>OH+C2H3COCH3+C2H4 .3000E+14 .000 30000.0 C6H101OOH5-3=>OH+C4H6+CH3CHO .1000E+14 .000 35000.0 C6H101OOH5-4=>CH3+CH3O2H+2C2H2 .3000E+14 .000 33500.0 C6H101OOH5-6=>C4H71-4+C2H3OOH .3000E+14 .000 30000.0 C6H101OOH6-3=>HO2+C4H6+C2H4 .1000E+14 .000 35000.0 C6H101OOH6-4=>OH+C5H81-4+CH2O .3000E+14 .000 29500.0 C6H101OOH6-5=>C3H5-A+AC3H5OOH .3000E+14 .000 23000.0 ! ! C6H102OOH4-6=>OH+C2H3COCH3+C2H4 .3000E+14 .000 22000.0 C6H102OOH5-6=>C4H71-3+CH2CHO + OH .3000E+14 .000 22000.0 C6H102OOH6-4=>OH+C5H81-3+CH2O .1000E+14 .000 35000.0 C6H102OOH6-5=>C3H5-T+AC3H5OOH .3000E+14 .000 39000.0 ! ! C6H103OOH2-1=>C4H71-4+CH2CHO + OH .3000E+14 .000 39000.0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 22 O2 ADDITION ON QOOH ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! C6H101OOH3-4 + O2=C6H101OOH3-4O2 .7540E+13 .000 .0 C6H101OOH3-5 + O2=C6H101OOH3-5O2 .7540E+13 .000 .0 C6H101OOH3-6 + O2=C6H101OOH3-6O2 .4520E+13 .000 .0 C6H101OOH4-3 + O2=C6H101OOH4-3O2 .2000E+13 .000 .0 C6H101OOH4-5 + O2=C6H101OOH4-5O2 .7540E+13 .000 .0 C6H101OOH4-6 + O2=C6H101OOH4-6O2 .4520E+13 .000 .0 C6H101OOH5-3 + O2=C6H101OOH5-3O2 .2000E+13 .000 .0 C6H101OOH5-4 + O2=C6H101OOH5-4O2 .7540E+13 .000 .0 C6H101OOH5-6 + O2=C6H101OOH5-6O2 .4520E+13 .000 .0 C6H101OOH6-3 + O2=C6H101OOH6-3O2 .2000E+13 .000 .0 C6H101OOH6-4 + O2=C6H101OOH6-4O2 .7540E+13 .000 .0 C6H101OOH6-5 + O2=C6H101OOH6-5O2 .7540E+13 .000 .0 ! ! ! C6H102OOH4-5 + O2=C6H102OOH4-5O2 .7540E+13 .000 .0 C6H102OOH4-6 + O2=C6H102OOH4-6O2 .4520E+13 .000 .0 C6H102OOH5-4 + O2=C6H102OOH5-4O2 .1000E+13 .000 .0 C6H102OOH5-6 + O2=C6H102OOH5-6O2 .4520E+13 .000 .0 C6H102OOH6-4 + O2=C6H102OOH6-4O2 .1000E+13 .000 .0 C6H102OOH6-5 + O2=C6H102OOH6-5O2 .7540E+13 .000 .0 C6H103OOH2-1 + O2=C6H103OOH2-1O2 .4520E+13 .000 .0 C6H103OOH1-2 + O2=C6H103OOH1-2O2 .1000E+13 .000 .0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 23 KETOHYDRO PEROX. FORMATION ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! C6H101OOH3-4O2=>NC6D1KET34 + OH 1.000E+11 0.000 2.145E+04 ! -2000 C6H101OOH3-5O2=>NC6D1KET35 + OH 1.250E+10 0.000 1.545E+04 ! -2000 C6H101OOH3-6O2=>NC6D1KET36 + OH 1.563E+09 0.000 1.365E+04 ! -2000 C6H101OOH4-3O2=>NC6D1KET43 + OH 1.00E+11 0.000 2.345E+04 C6H101OOH4-5O2=>NC6D1KET45 + OH 1.00E+11 0.000 2.345E+04 C6H101OOH4-6O2=>NC6D1KET46 + OH 1.25E+10 0.000 1.745E+04 C6H101OOH5-3O2=>NC6D1KET53 + OH 1.25E+10 0.000 1.745E+04 C6H101OOH5-4O2=>NC6D1KET54 + OH 1.00E+11 0.000 2.345E+04 C6H101OOH5-6O2=>NC6D1KET56 + OH 1.00E+11 0.000 2.345E+04 C6H101OOH6-3O2=>NC6D1KET63 + OH 3.12E+09 0.000 2.215E+04 C6H101OOH6-4O2=>NC6D1KET64 + OH 2.50E+10 0.000 2.100E+04 C6H101OOH6-5O2=>NC6D1KET65 + OH 2.00E+11 0.000 2.615E+04 ! ! C6H102OOH4-5O2=>NC6D2KET45 + OH 1.000E+11 0.000 2.145E+04 ! -2000 C6H102OOH4-6O2=>NC6D2KET46 + OH 1.250E+10 0.000 1.545E+04 ! -2000 C6H102OOH5-4O2=>NC6D2KET54 + OH 1.00E+11 0.000 2.345E+04 C6H102OOH5-6O2=>NC6D2KET56 + OH 1.00E+11 0.000 2.345E+04 C6H102OOH6-4O2=>NC6D2KET64 + OH 2.50E+10 0.000 2.100E+04 C6H102OOH6-5O2=>NC6D2KET65 + OH 2.00E+11 0.000 2.600E+04 ! ! C6H103OOH2-1O2=>NC6D3KET21 + OH 1.000E+11 0.000 2.145E+04 ! -2000 C6H103OOH1-2O2=>NC6D3KET12 + OH 2.00E+11 0.000 2.600E+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 23 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! NC6D1KET34=>OH+C2H3+CO+C2H5CHO .1000E+17 .000 39000.0 NC6D1KET35=>OH+CH2CHO+C2H3COCH3 .5000E+16 .000 39000.0 NC6D1KET35=>OH+CH3+CO+C2H3COCH3 .5000E+16 .000 39000.0 NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4 .1000E+17 .000 39000.0 NC6D1KET43=>OH+C3H5O+C2H3CHO .1000E+17 .000 39000.0 NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO .1000E+17 .000 39000.0 NC6D1KET46=>OH+C3H5-A+CO+CH3CHO .1000E+17 .000 39000.0 NC6D1KET53=>OH+C2H5CO+C2H3CHO .1000E+17 .000 39000.0 NC6D1KET54=>OH+C3H5-A+CO+CH3CHO .1000E+17 .000 39000.0 NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O .1000E+17 .000 39000.0 NC6D1KET63=>OH+C2H3CHO+HCO+C2H4 .1000E+17 .000 39000.0 NC6D1KET64=>OH+C3H5-A+CH3CHO+CO .5000E+16 .000 39000.0 NC6D1KET64=>OH+CH2CHO+AC3H5CHO .5000E+16 .000 39000.0 NC6D1KET65=>OH+HCO+CH2CO+C3H6 .1000E+17 .000 39000.0 ! ! NC6D2KET45=>OH+C3H5-T+CO+CH3CHO .1000E+17 .000 39000.0 NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O .1000E+17 .000 39000.0 NC6D2KET54=>OH+CH2CHO+C2H3COCH3 .1000E+17 .000 39000.0 NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO .1000E+17 .000 39000.0 NC6D2KET64=>OH+CH2CHO+C2H3COCH3 .1000E+17 .000 39000.0 NC6D2KET65=>OH+C4H71-3+CO+CH2O .1000E+17 .000 39000.0 ! ! NC6D3KET21=>OH+C4H71-4+CO+CH2O .1000E+17 .000 39000.0 NC6D3KET12=>OH+HCO+C4H7CHO1-4 .1000E+17 .000 39000.0 !! C4H7CHO1-4 NOT ACTUAL PRODUCT ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! CLASS 2X WADDINGTON ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! ! ! !DIRECT DECOMPOSITIONS OF C6H12OH-X WERE DELETED!!!! ! !AND SUBSTITUTED BY THE FOLLOWING: ! ! C6H12OH-1=>CH3CHO+PC4H9 1.500E+13 .000 3.000E+04 C6H12OH-1=>C2H5CHO+NC3H7 1.500E+13 .000 3.000E+04 ! ! C6H12OH-2=>NC3H7CHO+C2H5 1.500E+13 .000 3.000E+04 C6H12OH-2=>NC4H9CHO+CH3 1.500E+13 .000 3.000E+04 ! ! C6H12OH-3=>NC3H7CHO+C2H5 3.000E+13 .000 3.000E+04 ! ! ! C6H12-3+O<=>NC3H7+C2H5CO 1.000E+11 0.00 -1.050E+03 ! ! ! ! !TERMINATION HO2 ! C6H111-4+HO2=C6H111O2H-4 .9000E+13 .000 .0 C6H111-5+HO2=C6H111O2H-5 .9000E+13 .000 .0 C6H111-6+HO2=C6H111O2H-6 .9000E+13 .000 .0 ! ! C6H112-5+HO2=C6H112O2H-5 .9000E+13 .000 .0 C6H112-6+HO2=C6H112O2H-6 .9000E+13 .000 .0 C6H112-4+HO2=C6H113O2H-2 .4000E+13 .000 .0 C6H112-4+HO2=C6H112O2H-4 .4000E+13 .000 .0 ! C6H113-1+HO2=C6H113O2H-1 .9000E+13 .000 .0 ! ! ! ! ! !OH ELIMINATION ! C6H112O2-1=>C2H3COC3H7 + OH .4000E+13 .000 38000.0 !!! KES1-A>C2H3COC3H7 -CTU-LLY C5H9CHO... C6H111O2-3=>C2H3COC3H7 + OH .4000E+13 .000 38000.0 !!! KES1-A>C2H3COC3H7 C6H101OOH3-6=>C2H3COC3H7 + OH .1000E+12 .000 16700.0 !!! KES1-A>C2H3COC3H7 ! ! ! ! ! ! ! ! ! ! !HYDROPEROXIDE DECOMPOSITION ! C6H111O2H-4=>OH+C2H5CHO+C3H5-A .1000E+17 .000 39000.0 C6H111O2H-5=>OH+CH3CHO+C4H71-4 .1000E+17 .000 39000.0 C6H111O2H-6=>OH+CH2O+C5H91-5 .1000E+17 .000 39000.0 ! ! C6H112O2H-4=>OH+C2H3COCH3+C2H5 .1000E+17 .000 39000.0 C6H112O2H-5=>OH+CH3CHO+C4H71-3 .1000E+17 .000 39000.0 C6H112O2H-6=>OH+CH2O+C5H91-5 .1000E+17 .000 39000.0 C6H113O2H-2=>OH+CH3CHO+C4H71-4 .1000E+17 .000 39000.0 C6H113O2H-1=>OH+CH2O+C5H91-3 .1000E+17 .000 39000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !ACTIVATION OF THE HO2 --> OH ! ! ! ! ! ! ! ! !ABSTRACTION ON ETEROCYCLES ! O2 +ETES1=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49 H +ETES1=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57 OH +ETES1=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83 O +ETES1=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54 HO2 +ETES1=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73 HCO +ETES1=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44 CH3 +ETES1=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29 C2H5 +ETES1=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07 CH3O +ETES1=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56 CH3O2 +ETES1=>CH3O2H+C2H3COCH3+C2H3 .9133E+06 2.0 12360.44 O2 +MVOX=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49 H +MVOX=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57 OH +MVOX=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83 O +MVOX=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54 HO2 +MVOX=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73 HCO +MVOX=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44 CH3 +MVOX=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29 C2H5 +MVOX=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07 CH3O2 +MVOX=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44 C2H3 +MVOX=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29 CH3O +MVOX=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56 O2 +VTHF=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49 H +VTHF=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57 OH +VTHF=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83 O +VTHF=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54 HO2 +VTHF=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73 HCO +VTHF=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44 CH3 +VTHF=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29 C2H5 +VTHF=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07 CH3O +VTHF=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56 CH3O2 +VTHF=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44 C2H3 +VTHF=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29 O2 +EDHF=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49 H +EDHF=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57 OH +EDHF=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83 O +EDHF=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54 HO2 +EDHF=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73 HCO +EDHF=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44 CH3 +EDHF=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29 C2H5 +EDHF=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07 C2H3 +EDHF=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29 CH3O2 +EDHF=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44 CH3O +EDHF=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56 ! !ADDITIONAL ABSTRACTION ! O2 +C5H81-4=>HO2 +C3H5-A+C2H2 .5111E+07 2.0 40722.49 H +C5H81-4=>H2 +C3H5-A+C2H2 .6435E+07 2.0 3950.57 OH +C5H81-4=>H2O +C3H5-A+C2H2 .1198E+07 2.0 -2259.83 O +C5H81-4=>OH +C3H5-A+C2H2 .4060E+07 2.0 2579.54 HO2 +C5H81-4=>H2O2 +C3H5-A+C2H2 .1616E+06 2.0 11887.73 HCO +C5H81-4=>CH2O +C3H5-A+C2H2 .3789E+06 2.0 12360.44 CH3 +C5H81-4=>CH4 +C3H5-A+C2H2 .1171E+06 2.0 4871.29 C2H5 +C5H81-4=>C2H6 +C3H5-A+C2H2 .6895E+05 2.0 7658.07 CH3O +C5H81-4=>CH3OH +C3H5-A+C2H2 .1284E+06 2.0 1583.56 CH3O2 +C5H81-4=>CH3O2H+C3H5-A+C2H2 .2283E+06 2.0 12360.44 C2H3 +C5H81-4=>C2H4 +C3H5-A+C2H2 .2035E+06 2.0 4871.29 ! !!ADDITION ON DIOLEFIN ! C6H101-3+H<=>C6H111-3 2.50E+11 0.50 2620 C6H101-3+H<=>C6H111-4 2.50E+11 0.50 2620 C6H101-3+H<=>C6H113-1 4.25E+11 0.50 1230 C6H101-3+H<=>C6H112-4 2.50E+11 0.50 2620 ! C6H101-4+H<=>C6H111-4 2.50E+11 0.50 2620 C6H101-4+H<=>C6H111-5 2.50E+11 0.50 2620 C6H101-4+H<=>C6H112-5 4.25E+11 0.50 1230 C6H101-4+H<=>C6H112-6 2.50E+11 0.50 2620 ! C6H101-5+H<=>C6H111-5 4.25E+11 0.50 1230 C6H101-5+H<=>C6H111-6 2.50E+11 0.50 2620 ! ! C6H101-3+O=>C5H91-3+HCO 2.000E+11 0.00 -1.050E+03 C6H101-4+O=>C5H92-5+HCO 2.000E+11 0.00 -1.050E+03 C6H101-5+O=>C5H91-5+HCO 2.000E+11 0.00 -1.050E+03 ! ! C6H101-3 + OH=>C5H91-3+CH2O 1.000E+12 0.000 0.000E+00 C6H101-4 + OH=>C5H92-5+CH2O 1.000E+12 0.000 0.000E+00 C6H101-5 + OH=>C5H91-5+CH2O 1.000E+12 0.000 0.000E+00 ! ! ! C6H101-3 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 C6H101-4 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 C6H101-5 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 ! ! C6H101-3+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 C6H101-4+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 C6H101-5+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 ! C6H101-3+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 C6H101-4+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 C6H101-5+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 ! ! ! ! ! ! !!!!!!C 8-C16 N-ALKANE MECHANISM FROM LLNL WITH ONLY HIGH TEMPERATURE RXNS (CLASSES 1-9)!!!!!!!!!!! ! ! ! ! ! UNIMOLECULAR REACTIONS OF ALKANES ! ! CLASS 1 ! ! DECOMPOSITION AND RECOMBINATION REACTIONS ! ! C12H25-1+H = NC12H26 1.00E+14 0. 0. C12H25-2+H = NC12H26 1.00E+14 0. 0. C12H25-3+H = NC12H26 1.00E+14 0. 0. C12H25-4+H = NC12H26 1.00E+14 0. 0. C12H25-5+H = NC12H26 1.00E+14 0. 0. C12H25-6+H = NC12H26 1.00E+14 0. 0. ! C11H23-1+CH3 = NC12H26 1.00E+13 0. 0. C10H21-1+C2H5 = NC12H26 8.00E+12 0. 0. C9H19-1+NC3H7 = NC12H26 8.00E+12 0. 0. C8H17-1+PC4H9 = NC12H26 8.00E+12 0. 0. C7H15-1+C5H11-1 = NC12H26 8.00E+12 0. 0. C6H13-1+C6H13-1 = NC12H26 8.00E+12 0. 0. ! C11H23-1+H = NC11H24 1.00E+14 0. 0. C11H23-2+H = NC11H24 1.00E+14 0. 0. C11H23-3+H = NC11H24 1.00E+14 0. 0. C11H23-4+H = NC11H24 1.00E+14 0. 0. C11H23-5+H = NC11H24 1.00E+14 0. 0. C11H23-6+H = NC11H24 1.00E+14 0. 0. ! C10H21-1+CH3 = NC11H24 1.00E+13 0. 0. C9H19-1+C2H5 = NC11H24 8.00E+12 0. 0. C8H17-1+NC3H7 = NC11H24 8.00E+12 0. 0. C7H15-1+PC4H9 = NC11H24 8.00E+12 0. 0. C6H13-1+C5H11-1 = NC11H24 8.00E+12 0. 0. ! C10H21-1+H = NC10H22 1.00E+14 0. 0. C10H21-2+H = NC10H22 1.00E+14 0. 0. C10H21-3+H = NC10H22 1.00E+14 0. 0. C10H21-4+H = NC10H22 1.00E+14 0. 0. C10H21-5+H = NC10H22 1.00E+14 0. 0. ! C9H19-1+CH3 = NC10H22 1.00E+13 0. 0. C8H17-1+C2H5 = NC10H22 8.00E+12 0. 0. C7H15-1+NC3H7 = NC10H22 8.00E+12 0. 0. C6H13-1+PC4H9 = NC10H22 8.00E+12 0. 0. C5H11-1+C5H11-1 = NC10H22 8.00E+12 0. 0. ! C9H19-1+H = NC9H20 1.00E+14 0. 0. C9H19-2+H = NC9H20 1.00E+14 0. 0. C9H19-3+H = NC9H20 1.00E+14 0. 0. C9H19-4+H = NC9H20 1.00E+14 0. 0. C9H19-5+H = NC9H20 1.00E+14 0. 0. ! C8H17-1+CH3 = NC9H20 1.00E+13 0. 0. C7H15-1+C2H5 = NC9H20 8.00E+12 0. 0. C6H13-1+NC3H7 = NC9H20 8.00E+12 0. 0. C5H11-1+PC4H9 = NC9H20 8.00E+12 0. 0. ! C8H17-1+H = NC8H18 1.00E+14 0. 0. C8H17-2+H = NC8H18 1.00E+14 0. 0. C8H17-3+H = NC8H18 1.00E+14 0. 0. C8H17-4+H = NC8H18 1.00E+14 0. 0. ! C7H15-1+CH3 = NC8H18 1.00E+13 0. 0. C6H13-1+C2H5 = NC8H18 8.00E+12 0. 0. C5H11-1+NC3H7 = NC8H18 8.00E+12 0. 0. PC4H9+PC4H9 = NC8H18 8.00E+12 0. 0. ! ! ! CLASS 2 ! ! H ATOM ABSTRACTION ! ! ! NC12H26+H = C12H25-1+H2 1.330E+06 2.54 6.756E+03 NC12H26+H = C12H25-2+H2 2.600E+06 2.40 4.471E+03 NC12H26+H = C12H25-3+H2 2.600E+06 2.40 4.471E+03 NC12H26+H = C12H25-4+H2 2.600E+06 2.40 4.471E+03 NC12H26+H = C12H25-5+H2 2.600E+06 2.40 4.471E+03 NC12H26+H = C12H25-6+H2 2.600E+06 2.40 4.471E+03 ! NC12H26 + OH = C12H25-1+H2O 1.056E+10 0.97 1.590E+03 NC12H26 + OH = C12H25-2+H2O 9.400E+07 1.61 -3.500E+01 NC12H26 + OH = C12H25-3+H2O 9.400E+07 1.61 -3.500E+01 NC12H26 + OH = C12H25-4+H2O 9.400E+07 1.61 -3.500E+01 NC12H26 + OH = C12H25-5+H2O 9.400E+07 1.61 -3.500E+01 NC12H26 + OH = C12H25-6+H2O 9.400E+07 1.61 -3.500E+01 ! NC12H26+O = C12H25-1 + OH 1.960E+06 2.43 4.750E+03 NC12H26+O = C12H25-2 + OH 1.100E+06 2.45 2.830E+03 NC12H26+O = C12H25-3 + OH 1.100E+06 2.45 2.830E+03 NC12H26+O = C12H25-4 + OH 1.100E+06 2.45 2.830E+03 NC12H26+O = C12H25-5 + OH 1.100E+06 2.45 2.830E+03 NC12H26+O = C12H25-6 + OH 1.100E+06 2.45 2.830E+03 ! NC12H26+HO2 = C12H25-1+H2O2 4.080E+01 3.59 1.716E+04 NC12H26+HO2 = C12H25-2+H2O2 1.264E+02 3.37 1.372E+04 NC12H26+HO2 = C12H25-3+H2O2 1.264E+02 3.37 1.372E+04 NC12H26+HO2 = C12H25-4+H2O2 1.264E+02 3.37 1.372E+04 NC12H26+HO2 = C12H25-5+H2O2 1.264E+02 3.37 1.372E+04 NC12H26+HO2 = C12H25-6+H2O2 1.264E+02 3.37 1.372E+04 ! NC12H26+CH3 = C12H25-1+CH4 9.060E-01 3.65 7.154E+03 NC12H26+CH3 = C12H25-2+CH4 3.020E+00 3.46 5.481E+03 NC12H26+CH3 = C12H25-3+CH4 3.020E+00 3.46 5.481E+03 NC12H26+CH3 = C12H25-4+CH4 3.020E+00 3.46 5.481E+03 NC12H26+CH3 = C12H25-5+CH4 3.020E+00 3.46 5.481E+03 NC12H26+CH3 = C12H25-6+CH4 3.020E+00 3.46 5.481E+03 ! NC12H26 + O2 = C12H25-1+HO2 6.000E+13 0.00 5.229E+04 NC12H26 + O2 = C12H25-2+HO2 4.000E+13 0.00 4.964E+04 NC12H26 + O2 = C12H25-3+HO2 4.000E+13 0.00 4.964E+04 NC12H26 + O2 = C12H25-4+HO2 4.000E+13 0.00 4.964E+04 NC12H26 + O2 = C12H25-5+HO2 4.000E+13 0.00 4.964E+04 NC12H26 + O2 = C12H25-6+HO2 4.000E+13 0.00 4.964E+04 ! NC12H26+C2H3 = C12H25-1+C2H4 1.000E+12 0.00 1.800E+04 NC12H26+C2H3 = C12H25-2+C2H4 8.000E+11 0.00 1.680E+04 NC12H26+C2H3 = C12H25-3+C2H4 8.000E+11 0.00 1.680E+04 NC12H26+C2H3 = C12H25-4+C2H4 8.000E+11 0.00 1.680E+04 NC12H26+C2H3 = C12H25-5+C2H4 8.000E+11 0.00 1.680E+04 NC12H26+C2H3 = C12H25-6+C2H4 8.000E+11 0.00 1.680E+04 ! NC12H26+C2H5 = C12H25-1+C2H6 1.000E+11 0.00 1.340E+04 NC12H26+C2H5 = C12H25-2+C2H6 1.000E+11 0.00 1.040E+04 NC12H26+C2H5 = C12H25-3+C2H6 1.000E+11 0.00 1.040E+04 NC12H26+C2H5 = C12H25-4+C2H6 1.000E+11 0.00 1.040E+04 NC12H26+C2H5 = C12H25-5+C2H6 1.000E+11 0.00 1.040E+04 NC12H26+C2H5 = C12H25-6+C2H6 1.000E+11 0.00 1.040E+04 ! ! NC12H26+CH3O<=>C12H25-1+CH3OH 4.340E+11 0.00 6.458E+03 NC12H26+CH3O<=>C12H25-2+CH3OH 2.900E+11 0.00 4.571E+03 NC12H26+CH3O<=>C12H25-3+CH3OH 2.900E+11 0.00 4.571E+03 NC12H26+CH3O<=>C12H25-4+CH3OH 2.900E+11 0.00 4.571E+03 NC12H26+CH3O<=>C12H25-5+CH3OH 2.900E+11 0.00 4.571E+03 NC12H26+CH3O<=>C12H25-6+CH3OH 2.900E+11 0.00 4.571E+03 ! ! NC12H26+CH3O2<=>C12H25-1+CH3O2H 1.386E+00 3.97 1.828E+04 NC12H26+CH3O2<=>C12H25-2+CH3O2H 2.037E+01 3.58 1.481E+04 NC12H26+CH3O2<=>C12H25-3+CH3O2H 2.037E+01 3.58 1.481E+04 NC12H26+CH3O2<=>C12H25-4+CH3O2H 2.037E+01 3.58 1.481E+04 NC12H26+CH3O2<=>C12H25-5+CH3O2H 2.037E+01 3.58 1.481E+04 NC12H26+CH3O2<=>C12H25-6+CH3O2H 2.037E+01 3.58 1.481E+04 ! ! ! NC12H26 + O2CHO<=>C12H25-1+HO2CHO 1.680E+13 0.00 2.044E+04 NC12H26 + O2CHO<=>C12H25-2+HO2CHO 1.120E+13 0.00 1.769E+04 NC12H26 + O2CHO<=>C12H25-3+HO2CHO 1.120E+13 0.00 1.769E+04 NC12H26 + O2CHO<=>C12H25-4+HO2CHO 1.120E+13 0.00 1.769E+04 NC12H26 + O2CHO<=>C12H25-5+HO2CHO 1.120E+13 0.00 1.769E+04 NC12H26 + O2CHO<=>C12H25-6+HO2CHO 1.120E+13 0.00 1.769E+04 ! ! ! NC11H24+H = C11H23-1+H2 1.330E+06 2.54 6.756E+03 NC11H24+H = C11H23-2+H2 2.600E+06 2.40 4.471E+03 NC11H24+H = C11H23-3+H2 2.600E+06 2.40 4.471E+03 NC11H24+H = C11H23-4+H2 2.600E+06 2.40 4.471E+03 NC11H24+H = C11H23-5+H2 2.600E+06 2.40 4.471E+03 NC11H24+H = C11H23-6+H2 1.170E+07 2.40 4.471E+03 ! NC11H24 + OH = C11H23-1+H2O 1.056E+10 0.97 1.590E+03 NC11H24 + OH = C11H23-2+H2O 9.400E+07 1.61 -3.500E+01 NC11H24 + OH = C11H23-3+H2O 9.400E+07 1.61 -3.500E+01 NC11H24 + OH = C11H23-4+H2O 9.400E+07 1.61 -3.500E+01 NC11H24 + OH = C11H23-5+H2O 9.400E+07 1.61 -3.500E+01 NC11H24 + OH = C11H23-6+H2O 4.700E+07 1.61 -3.500E+01 ! NC11H24+O = C11H23-1 + OH 1.960E+06 2.43 4.750E+03 NC11H24+O = C11H23-2 + OH 1.100E+06 2.45 2.830E+03 NC11H24+O = C11H23-3 + OH 1.100E+06 2.45 2.830E+03 NC11H24+O = C11H23-4 + OH 1.100E+06 2.45 2.830E+03 NC11H24+O = C11H23-5 + OH 1.100E+06 2.45 2.830E+03 NC11H24+O = C11H23-6 + OH 5.500E+05 2.45 2.830E+03 ! NC11H24+HO2 = C11H23-1+H2O2 4.080E+01 3.59 1.716E+04 NC11H24+HO2 = C11H23-2+H2O2 1.264E+02 3.37 1.372E+04 NC11H24+HO2 = C11H23-3+H2O2 1.264E+02 3.37 1.372E+04 NC11H24+HO2 = C11H23-4+H2O2 1.264E+02 3.37 1.372E+04 NC11H24+HO2 = C11H23-5+H2O2 1.264E+02 3.37 1.372E+04 NC11H24+HO2 = C11H23-6+H2O2 6.32E+01 3.37 1.372E+04 ! NC11H24+CH3 = C11H23-1+CH4 9.060E-01 3.65 7.154E+03 NC11H24+CH3 = C11H23-2+CH4 3.020E+00 3.46 5.481E+03 NC11H24+CH3 = C11H23-3+CH4 3.020E+00 3.46 5.481E+03 NC11H24+CH3 = C11H23-4+CH4 3.020E+00 3.46 5.481E+03 NC11H24+CH3 = C11H23-5+CH4 3.020E+00 3.46 5.481E+03 NC11H24+CH3 = C11H23-6+CH4 1.360E+01 3.46 5.481E+03 ! NC11H24 + O2 = C11H23-1+HO2 6.000E+13 0.00 5.229E+04 NC11H24 + O2 = C11H23-2+HO2 4.000E+13 0.00 4.964E+04 NC11H24 + O2 = C11H23-3+HO2 4.000E+13 0.00 4.964E+04 NC11H24 + O2 = C11H23-4+HO2 4.000E+13 0.00 4.964E+04 NC11H24 + O2 = C11H23-5+HO2 4.000E+13 0.00 4.964E+04 NC11H24 + O2 = C11H23-6+HO2 2.000E+13 0.00 4.964E+04 ! NC11H24+C2H3 = C11H23-1+C2H4 1.000E+12 0.00 1.800E+04 NC11H24+C2H3 = C11H23-2+C2H4 8.000E+11 0.00 1.680E+04 NC11H24+C2H3 = C11H23-3+C2H4 8.000E+11 0.00 1.680E+04 NC11H24+C2H3 = C11H23-4+C2H4 8.000E+11 0.00 1.680E+04 NC11H24+C2H3 = C11H23-5+C2H4 8.000E+11 0.00 1.680E+04 NC11H24+C2H3 = C11H23-6+C2H4 4.000E+11 0.00 1.680E+04 ! NC11H24+C2H5 = C11H23-1+C2H6 1.000E+11 0.00 1.340E+04 NC11H24+C2H5 = C11H23-2+C2H6 1.000E+11 0.00 1.040E+04 NC11H24+C2H5 = C11H23-3+C2H6 1.000E+11 0.00 1.040E+04 NC11H24+C2H5 = C11H23-4+C2H6 1.000E+11 0.00 1.040E+04 NC11H24+C2H5 = C11H23-5+C2H6 1.000E+11 0.00 1.040E+04 NC11H24+C2H5 = C11H23-6+C2H6 5.000E+10 0.00 1.040E+04 ! NC11H24+CH3O<=>C11H23-1+CH3OH 4.340E+11 0.00 6.458E+03 NC11H24+CH3O<=>C11H23-2+CH3OH 2.900E+11 0.00 4.571E+03 NC11H24+CH3O<=>C11H23-3+CH3OH 2.900E+11 0.00 4.571E+03 NC11H24+CH3O<=>C11H23-4+CH3OH 2.900E+11 0.00 4.571E+03 NC11H24+CH3O<=>C11H23-5+CH3OH 2.900E+11 0.00 4.571E+03 NC11H24+CH3O<=>C11H23-6+CH3OH 1.450E+11 0.00 4.571E+03 ! ! NC11H24+CH3O2<=>C11H23-1+CH3O2H 1.386E+00 3.97 1.828E+04 NC11H24+CH3O2<=>C11H23-2+CH3O2H 2.037E+01 3.58 1.481E+04 NC11H24+CH3O2<=>C11H23-3+CH3O2H 2.037E+01 3.58 1.481E+04 NC11H24+CH3O2<=>C11H23-4+CH3O2H 2.037E+01 3.58 1.481E+04 NC11H24+CH3O2<=>C11H23-5+CH3O2H 2.037E+01 3.58 1.481E+04 NC11H24+CH3O2<=>C11H23-6+CH3O2H 1.018E+01 3.58 1.481E+04 ! ! ! NC11H24 + O2CHO<=>C11H23-1+HO2CHO 1.680E+13 0.00 2.044E+04 NC11H24 + O2CHO<=>C11H23-2+HO2CHO 1.120E+13 0.00 1.769E+04 NC11H24 + O2CHO<=>C11H23-3+HO2CHO 1.120E+13 0.00 1.769E+04 NC11H24 + O2CHO<=>C11H23-4+HO2CHO 1.120E+13 0.00 1.769E+04 NC11H24 + O2CHO<=>C11H23-5+HO2CHO 1.120E+13 0.00 1.769E+04 NC11H24 + O2CHO<=>C11H23-6+HO2CHO 5.600E+12 0.00 1.769E+04 ! ! NC10H22+H = C10H21-1+H2 1.330E+06 2.54 6.756E+03 NC10H22+H = C10H21-2+H2 2.600E+06 2.40 4.471E+03 NC10H22+H = C10H21-3+H2 2.600E+06 2.40 4.471E+03 NC10H22+H = C10H21-4+H2 2.600E+06 2.40 4.471E+03 NC10H22+H = C10H21-5+H2 2.600E+06 2.40 4.471E+03 ! NC10H22 + OH = C10H21-1+H2O 1.056E+10 0.97 1.590E+03 NC10H22 + OH = C10H21-2+H2O 9.400E+07 1.61 -3.500E+01 NC10H22 + OH = C10H21-3+H2O 9.400E+07 1.61 -3.500E+01 NC10H22 + OH = C10H21-4+H2O 9.400E+07 1.61 -3.500E+01 NC10H22 + OH = C10H21-5+H2O 9.400E+07 1.61 -3.500E+01 ! NC10H22+O = C10H21-1 + OH 1.960E+06 2.43 4.750E+03 NC10H22+O = C10H21-2 + OH 1.100E+06 2.45 2.830E+03 NC10H22+O = C10H21-3 + OH 1.100E+06 2.45 2.830E+03 NC10H22+O = C10H21-4 + OH 1.100E+06 2.45 2.830E+03 NC10H22+O = C10H21-5 + OH 1.100E+06 2.45 2.830E+03 ! NC10H22+HO2 = C10H21-1+H2O2 4.080E+01 3.59 1.716E+04 NC10H22+HO2 = C10H21-2+H2O2 1.264E+02 3.37 1.372E+04 NC10H22+HO2 = C10H21-3+H2O2 1.264E+02 3.37 1.372E+04 NC10H22+HO2 = C10H21-4+H2O2 1.264E+02 3.37 1.372E+04 NC10H22+HO2 = C10H21-5+H2O2 1.264E+02 3.37 1.372E+04 ! NC10H22+CH3 = C10H21-1+CH4 9.060E-01 3.65 7.154E+03 NC10H22+CH3 = C10H21-2+CH4 3.020E+00 3.46 5.481E+03 NC10H22+CH3 = C10H21-3+CH4 3.020E+00 3.46 5.481E+03 NC10H22+CH3 = C10H21-4+CH4 3.020E+00 3.46 5.481E+03 NC10H22+CH3 = C10H21-5+CH4 3.020E+00 3.46 5.481E+03 ! NC10H22 + O2 = C10H21-1+HO2 6.000E+13 0.00 5.229E+04 NC10H22 + O2 = C10H21-2+HO2 4.000E+13 0.00 4.964E+04 NC10H22 + O2 = C10H21-3+HO2 4.000E+13 0.00 4.964E+04 NC10H22 + O2 = C10H21-4+HO2 4.000E+13 0.00 4.964E+04 NC10H22 + O2 = C10H21-5+HO2 4.000E+13 0.00 4.964E+04 ! NC10H22+C2H3 = C10H21-1+C2H4 1.000E+12 0.00 1.800E+04 NC10H22+C2H3 = C10H21-2+C2H4 8.000E+11 0.00 1.680E+04 NC10H22+C2H3 = C10H21-3+C2H4 8.000E+11 0.00 1.680E+04 NC10H22+C2H3 = C10H21-4+C2H4 8.000E+11 0.00 1.680E+04 NC10H22+C2H3 = C10H21-5+C2H4 8.000E+11 0.00 1.680E+04 ! NC10H22+C2H5 = C10H21-1+C2H6 1.000E+11 0.00 1.340E+04 NC10H22+C2H5 = C10H21-2+C2H6 1.000E+11 0.00 1.040E+04 NC10H22+C2H5 = C10H21-3+C2H6 1.000E+11 0.00 1.040E+04 NC10H22+C2H5 = C10H21-4+C2H6 1.000E+11 0.00 1.040E+04 NC10H22+C2H5 = C10H21-5+C2H6 1.000E+11 0.00 1.040E+04 ! NC10H22+CH3O<=>C10H21-1+CH3OH 4.340E+11 0.00 6.458E+03 NC10H22+CH3O<=>C10H21-2+CH3OH 2.900E+11 0.00 4.571E+03 NC10H22+CH3O<=>C10H21-3+CH3OH 2.900E+11 0.00 4.571E+03 NC10H22+CH3O<=>C10H21-4+CH3OH 2.900E+11 0.00 4.571E+03 NC10H22+CH3O<=>C10H21-5+CH3OH 2.900E+11 0.00 4.571E+03 ! ! NC10H22+CH3O2<=>C10H21-1+CH3O2H 1.386E+00 3.97 1.828E+04 NC10H22+CH3O2<=>C10H21-2+CH3O2H 2.037E+01 3.58 1.481E+04 NC10H22+CH3O2<=>C10H21-3+CH3O2H 2.037E+01 3.58 1.481E+04 NC10H22+CH3O2<=>C10H21-4+CH3O2H 2.037E+01 3.58 1.481E+04 NC10H22+CH3O2<=>C10H21-5+CH3O2H 2.037E+01 3.58 1.481E+04 ! ! ! NC10H22 + O2CHO<=>C10H21-1+HO2CHO 1.680E+13 0.00 2.044E+04 NC10H22 + O2CHO<=>C10H21-2+HO2CHO 1.120E+13 0.00 1.769E+04 NC10H22 + O2CHO<=>C10H21-3+HO2CHO 1.120E+13 0.00 1.769E+04 NC10H22 + O2CHO<=>C10H21-4+HO2CHO 1.120E+13 0.00 1.769E+04 NC10H22 + O2CHO<=>C10H21-5+HO2CHO 1.120E+13 0.00 1.769E+04 ! ! NC9H20+H = C9H19-1+H2 1.330E+06 2.54 6.756E+03 NC9H20+H = C9H19-2+H2 2.600E+06 2.40 4.471E+03 NC9H20+H = C9H19-3+H2 2.600E+06 2.40 4.471E+03 NC9H20+H = C9H19-4+H2 2.600E+06 2.40 4.471E+03 NC9H20+H = C9H19-5+H2 1.170E+07 2.40 4.471E+03 !! NC9H20 + OH = C9H19-1+H2O 1.056E+10 0.97 1.590E+03 NC9H20 + OH = C9H19-2+H2O 9.400E+07 1.61 -3.500E+01 NC9H20 + OH = C9H19-3+H2O 9.400E+07 1.61 -3.500E+01 NC9H20 + OH = C9H19-4+H2O 9.400E+07 1.61 -3.500E+01 NC9H20 + OH = C9H19-5+H2O 4.700E+07 1.61 -3.500E+01 !! NC9H20+O = C9H19-1 + OH 1.960E+06 2.43 4.750E+03 NC9H20+O = C9H19-2 + OH 1.100E+06 2.45 2.830E+03 NC9H20+O = C9H19-3 + OH 1.100E+06 2.45 2.830E+03 NC9H20+O = C9H19-4 + OH 1.100E+06 2.45 2.830E+03 NC9H20+O = C9H19-5 + OH 5.500E+05 2.45 2.830E+03 !! NC9H20+HO2 = C9H19-1+H2O2 4.080E+01 3.59 1.716E+04 NC9H20+HO2 = C9H19-2+H2O2 1.264E+02 3.37 1.372E+04 NC9H20+HO2 = C9H19-3+H2O2 1.264E+02 3.37 1.372E+04 NC9H20+HO2 = C9H19-4+H2O2 1.264E+02 3.37 1.372E+04 NC9H20+HO2 = C9H19-5+H2O2 6.32E+01 3.37 1.372E+04 ! NC9H20+CH3 = C9H19-1+CH4 9.060E-01 3.65 7.154E+03 NC9H20+CH3 = C9H19-2+CH4 3.020E+00 3.46 5.481E+03 NC9H20+CH3 = C9H19-3+CH4 3.020E+00 3.46 5.481E+03 NC9H20+CH3 = C9H19-4+CH4 3.020E+00 3.46 5.481E+03 NC9H20+CH3 = C9H19-5+CH4 1.360E+01 3.46 5.481E+03 ! NC9H20 + O2 = C9H19-1+HO2 6.000E+13 0.00 5.229E+04 NC9H20 + O2 = C9H19-2+HO2 4.000E+13 0.00 4.964E+04 NC9H20 + O2 = C9H19-3+HO2 4.000E+13 0.00 4.964E+04 NC9H20 + O2 = C9H19-4+HO2 4.000E+13 0.00 4.964E+04 NC9H20 + O2 = C9H19-5+HO2 2.000E+13 0.00 4.964E+04 ! NC9H20+C2H3 = C9H19-1+C2H4 1.000E+12 0.00 1.800E+04 NC9H20+C2H3 = C9H19-2+C2H4 8.000E+11 0.00 1.680E+04 NC9H20+C2H3 = C9H19-3+C2H4 8.000E+11 0.00 1.680E+04 NC9H20+C2H3 = C9H19-4+C2H4 8.000E+11 0.00 1.680E+04 NC9H20+C2H3 = C9H19-5+C2H4 4.000E+11 0.00 1.680E+04 ! NC9H20+C2H5 = C9H19-1+C2H6 1.000E+11 0.00 1.340E+04 NC9H20+C2H5 = C9H19-2+C2H6 1.000E+11 0.00 1.040E+04 NC9H20+C2H5 = C9H19-3+C2H6 1.000E+11 0.00 1.040E+04 NC9H20+C2H5 = C9H19-4+C2H6 1.000E+11 0.00 1.040E+04 NC9H20+C2H5 = C9H19-5+C2H6 5.000E+10 0.00 1.040E+04 ! NC9H20+CH3O<=>C9H19-1+CH3OH 4.340E+11 0.00 6.458E+03 NC9H20+CH3O<=>C9H19-2+CH3OH 2.900E+11 0.00 4.571E+03 NC9H20+CH3O<=>C9H19-3+CH3OH 2.900E+11 0.00 4.571E+03 NC9H20+CH3O<=>C9H19-4+CH3OH 2.900E+11 0.00 4.571E+03 NC9H20+CH3O<=>C9H19-5+CH3OH 1.450E+11 0.00 4.571E+03 ! ! NC9H20+CH3O2<=>C9H19-1+CH3O2H 1.386E+00 3.97 1.828E+04 NC9H20+CH3O2<=>C9H19-2+CH3O2H 2.037E+01 3.58 1.481E+04 NC9H20+CH3O2<=>C9H19-3+CH3O2H 2.037E+01 3.58 1.481E+04 NC9H20+CH3O2<=>C9H19-4+CH3O2H 2.037E+01 3.58 1.481E+04 NC9H20+CH3O2<=>C9H19-5+CH3O2H 1.018E+01 3.58 1.481E+04 ! ! ! NC9H20 + O2CHO<=>C9H19-1+HO2CHO 1.680E+13 0.00 2.044E+04 NC9H20 + O2CHO<=>C9H19-2+HO2CHO 1.120E+13 0.00 1.769E+04 NC9H20 + O2CHO<=>C9H19-3+HO2CHO 1.120E+13 0.00 1.769E+04 NC9H20 + O2CHO<=>C9H19-4+HO2CHO 1.120E+13 0.00 1.769E+04 NC9H20 + O2CHO<=>C9H19-5+HO2CHO 5.600E+12 0.00 1.769E+04 ! ! NC8H18+H = C8H17-1+H2 1.330E+06 2.54 6.756E+03 NC8H18+H = C8H17-2+H2 2.600E+06 2.40 4.471E+03 NC8H18+H = C8H17-3+H2 2.600E+06 2.40 4.471E+03 NC8H18+H = C8H17-4+H2 2.600E+06 2.40 4.471E+03 ! NC8H18 + OH = C8H17-1+H2O 1.056E+10 0.97 1.590E+03 NC8H18 + OH = C8H17-2+H2O 9.400E+07 1.61 -3.500E+01 NC8H18 + OH = C8H17-3+H2O 9.400E+07 1.61 -3.500E+01 NC8H18 + OH = C8H17-4+H2O 9.400E+07 1.61 -3.500E+01 ! NC8H18+O = C8H17-1 + OH 1.960E+06 2.43 4.750E+03 NC8H18+O = C8H17-2 + OH 1.100E+06 2.45 2.830E+03 NC8H18+O = C8H17-3 + OH 1.100E+06 2.45 2.830E+03 NC8H18+O = C8H17-4 + OH 1.100E+06 2.45 2.830E+03 ! NC8H18+HO2 = C8H17-1+H2O2 4.080E+01 3.59 1.716E+04 NC8H18+HO2 = C8H17-2+H2O2 1.264E+02 3.37 1.372E+04 NC8H18+HO2 = C8H17-3+H2O2 1.264E+02 3.37 1.372E+04 NC8H18+HO2 = C8H17-4+H2O2 1.264E+02 3.37 1.372E+04 ! NC8H18+CH3 = C8H17-1+CH4 9.060E-01 3.65 7.154E+03 NC8H18+CH3 = C8H17-2+CH4 3.020E+00 3.46 5.481E+03 NC8H18+CH3 = C8H17-3+CH4 3.020E+00 3.46 5.481E+03 NC8H18+CH3 = C8H17-4+CH4 3.020E+00 3.46 5.481E+03 ! NC8H18 + O2 = C8H17-1+HO2 6.000E+13 0.00 5.229E+04 NC8H18 + O2 = C8H17-2+HO2 4.000E+13 0.00 4.964E+04 NC8H18 + O2 = C8H17-3+HO2 4.000E+13 0.00 4.964E+04 NC8H18 + O2 = C8H17-4+HO2 4.000E+13 0.00 4.964E+04 ! NC8H18+C2H3 = C8H17-1+C2H4 1.000E+12 0.00 1.800E+04 NC8H18+C2H3 = C8H17-2+C2H4 8.000E+11 0.00 1.680E+04 NC8H18+C2H3 = C8H17-3+C2H4 8.000E+11 0.00 1.680E+04 NC8H18+C2H3 = C8H17-4+C2H4 8.000E+11 0.00 1.680E+04 ! NC8H18+C2H5 = C8H17-1+C2H6 1.000E+11 0.00 1.340E+04 NC8H18+C2H5 = C8H17-2+C2H6 1.000E+11 0.00 1.040E+04 NC8H18+C2H5 = C8H17-3+C2H6 1.000E+11 0.00 1.040E+04 NC8H18+C2H5 = C8H17-4+C2H6 1.000E+11 0.00 1.040E+04 ! ! NC8H18+CH3O<=>C8H17-1+CH3OH 4.340E+11 0.00 6.458E+03 NC8H18+CH3O<=>C8H17-2+CH3OH 2.900E+11 0.00 4.571E+03 NC8H18+CH3O<=>C8H17-3+CH3OH 2.900E+11 0.00 4.571E+03 NC8H18+CH3O<=>C8H17-4+CH3OH 2.900E+11 0.00 4.571E+03 ! ! NC8H18+CH3O2<=>C8H17-1+CH3O2H 1.386E+00 3.97 1.828E+04 NC8H18+CH3O2<=>C8H17-2+CH3O2H 2.037E+01 3.58 1.481E+04 NC8H18+CH3O2<=>C8H17-3+CH3O2H 2.037E+01 3.58 1.481E+04 NC8H18+CH3O2<=>C8H17-4+CH3O2H 2.037E+01 3.58 1.481E+04 ! ! ! NC8H18 + O2CHO<=>C8H17-1+HO2CHO 1.680E+13 0.00 2.044E+04 NC8H18 + O2CHO<=>C8H17-2+HO2CHO 1.120E+13 0.00 1.769E+04 NC8H18 + O2CHO<=>C8H17-3+HO2CHO 1.120E+13 0.00 1.769E+04 NC8H18 + O2CHO<=>C8H17-4+HO2CHO 1.120E+13 0.00 1.769E+04 ! ! ! CLASS 3 ! ! ALKYL DECOMPOSITION ! ! ! C12H25-1 = C2H4+C10H21-1 9.12E+11 0.31 27238.0 H+C12H24-1 = C12H25-1 2.500E+11 0.51 2620.0 ! C12H25-2 = C3H6+C9H19-1 6.00E+11 0.50 27650.0 H+C12H24-1 = C12H25-2 4.240E+11 0.51 1230.0 H+C12H24-2 = C12H25-2 2.500E+11 0.51 2620.0 ! C12H25-3 = C4H8-1+C8H17-1 6.00E+11 0.50 27650.0 C12H25-3 = CH3+C11H22-1 9.55E+09 1.08 29388.0 H+C12H24-2 = C12H25-3 2.500E+11 0.51 2620.0 H+C12H24-3 = C12H25-3 2.500E+11 0.51 2620.0 ! C12H25-4 = C5H10-1+C7H15-1 6.00E+11 0.50 27650.0 C12H25-4 = C2H5+C10H20-1 6.00E+11 0.50 27650.0 H+C12H24-3 = C12H25-4 2.500E+11 0.51 2620.0 H+C12H24-4 = C12H25-4 2.500E+11 0.51 2620.0 ! C12H25-5 = C6H12-1+C6H13-1 6.00E+11 0.50 27650.0 C12H25-5 = NC3H7+C9H18-1 6.00E+11 0.50 27650.0 H+C12H24-4 = C12H25-5 2.500E+11 0.51 2620.0 H+C12H24-5 = C12H25-5 2.500E+11 0.51 2620.0 ! C12H25-6 = C7H14-1+C5H11-1 6.00E+11 0.50 27650.0 C12H25-6 = PC4H9+C8H16-1 6.00E+11 0.50 27650.0 H+C12H24-5 = C12H25-6 2.500E+11 0.51 2620.0 H+C12H24-6 = C12H25-6 2.500E+11 0.51 2620.0 ! ! C11H23-1 = C2H4+C9H19-1 9.12E+11 0.31 27238.0 H+C11H22-1 = C11H23-1 2.500E+11 0.51 2620.0 ! C11H23-2 = C3H6+C8H17-1 6.00E+11 0.50 27650.0 H+C11H22-1 = C11H23-2 4.240E+11 0.51 1230.0 H+C11H22-2 = C11H23-2 2.500E+11 0.51 2620.0 ! C11H23-3 = C4H8-1+C7H15-1 6.00E+11 0.50 27650.0 C11H23-3 = CH3+C10H20-1 9.55E+09 1.08 29388.0 H+C11H22-2 = C11H23-3 2.500E+11 0.51 2620.0 H+C11H22-3 = C11H23-3 2.500E+11 0.51 2620.0 ! C11H23-4 = C5H10-1+C6H13-1 6.00E+11 0.50 27650.0 C11H23-4 = C2H5+C9H18-1 6.00E+11 0.50 27650.0 H+C11H22-3 = C11H23-4 2.500E+11 0.51 2620.0 H+C11H22-4 = C11H23-4 2.500E+11 0.51 2620.0 ! C11H23-5 = C6H12-1+C5H11-1 6.00E+11 0.50 27650.0 C11H23-5 = NC3H7+C8H16-1 6.00E+11 0.50 27650.0 H+C11H22-4 = C11H23-5 2.500E+11 0.51 2620.0 H+C11H22-5 = C11H23-5 2.500E+11 0.51 2620.0 ! C11H23-6 = C7H14-1+PC4H9 6.00E+11 0.50 27650.0 H+C11H22-5 = C11H23-6 2.500E+11 0.51 2620.0 ! ! C10H21-1 = C2H4+C8H17-1 9.12E+11 0.31 27238.0 H+C10H20-1 = C10H21-1 2.500E+11 0.51 2620.0 ! C10H21-2 = C3H6+C7H15-1 6.00E+11 0.50 27650.0 H+C10H20-1 = C10H21-2 4.240E+11 0.51 1230.0 H+C10H20-2 = C10H21-2 2.500E+11 0.51 2620.0 ! C10H21-3 = C4H8-1+C6H13-1 6.00E+11 0.50 27650.0 C10H21-3 = CH3+C9H18-1 9.55E+09 1.08 29388.0 H+C10H20-2 = C10H21-3 2.500E+11 0.51 2620.0 H+C10H20-3 = C10H21-3 2.500E+11 0.51 2620.0 ! C10H21-4 = C5H10-1+C5H11-1 6.00E+11 0.50 27650.0 C10H21-4 = C2H5+C8H16-1 6.00E+11 0.50 27650.0 H+C10H20-3 = C10H21-4 2.500E+11 0.51 2620.0 H+C10H20-4 = C10H21-4 2.500E+11 0.51 2620.0 ! C10H21-5 = C6H12-1+PC4H9 6.00E+11 0.50 27650.0 C10H21-5 = NC3H7+C7H14-1 6.00E+11 0.50 27650.0 H+C10H20-4 = C10H21-5 2.500E+11 0.51 2620.0 H+C10H20-5 = C10H21-5 2.500E+11 0.51 2620.0 ! ! C9H19-1 = C2H4+C7H15-1 9.12E+11 0.31 27238.0 H+C9H18-1 = C9H19-1 2.500E+11 0.51 2620.0 ! C9H19-2 = C3H6+C6H13-1 6.00E+11 0.50 27650.0 H+C9H18-1 = C9H19-2 4.240E+11 0.51 1230.0 H+C9H18-2 = C9H19-2 2.500E+11 0.51 2620.0 ! C9H19-3 = C4H8-1+C5H11-1 6.00E+11 0.50 27650.0 C9H19-3 = CH3+C8H16-1 9.55E+09 1.08 29388.0 H+C9H18-2 = C9H19-3 2.500E+11 0.51 2620.0 H+C9H18-3 = C9H19-3 2.500E+11 0.51 2620.0 ! C9H19-4 = C5H10-1+PC4H9 6.00E+11 0.50 27650.0 C9H19-4 = C2H5+C7H14-1 6.00E+11 0.50 27650.0 H+C9H18-3 = C9H19-4 2.500E+11 0.51 2620.0 H+C9H18-4 = C9H19-4 2.500E+11 0.51 2620.0 ! C9H19-5 = C6H12-1+NC3H7 6.00E+11 0.50 27650.0 H+C9H18-4 = C9H19-5 2.500E+11 0.51 2620.0 ! ! C8H17-1 = C2H4+C6H13-1 9.12E+11 0.31 27238.0 H+C8H16-1 = C8H17-1 2.500E+11 0.51 2620.0 ! C8H17-2 = C3H6+C5H11-1 6.00E+11 0.50 27650.0 H+C8H16-1 = C8H17-2 4.240E+11 0.51 1230.0 H+C8H16-2 = C8H17-2 2.500E+11 0.51 2620.0 ! C8H17-3 = C4H8-1+PC4H9 6.00E+11 0.50 27650.0 C8H17-3 = CH3+C7H14-1 9.55E+09 1.08 29388.0 H+C8H16-2 = C8H17-3 2.500E+11 0.51 2620.0 H+C8H16-3 = C8H17-3 2.500E+11 0.51 2620.0 ! C8H17-4 = C5H10-1+NC3H7 6.00E+11 0.50 27650.0 C8H17-4 = C2H5+C6H12-1 6.00E+11 0.50 27650.0 H+C8H16-3 = C8H17-4 2.500E+11 0.51 2620.0 H+C8H16-4 = C8H17-4 2.500E+11 0.51 2620.0 ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! ! INCLUDE 3, 4, 5, AND 6 MEMBERED TRANSITION STATE RINGS ! ! C12H25-1 = C12H25-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C12H25-1 = C12H25-5 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C12H25-1 = C12H25-6 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S C12H25-2 = C12H25-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C12H25-2 = C12H25-6 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S DUPLICATE C12H25-2 = C12H25-6 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S DUPLICATE C12H25-3 = C12H25-6 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S DUPLICATE C12H25-3 = C12H25-6 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S DUPLICATE C12H25-3 = C12H25-5 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S C12H25-4 = C12H25-6 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C12H25-4 = C12H25-5 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S ! C11H23-1 = C11H23-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C11H23-1 = C11H23-5 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C11H23-1 = C11H23-6 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S C11H23-2 = C11H23-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S DUPLICATE C11H23-2 = C11H23-6 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S C11H23-2 = C11H23-5 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S DUPLICATE C11H23-3 = C11H23-6 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C11H23-3 = C11H23-5 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S C11H23-3 = C11H23-4 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S C11H23-4 = C11H23-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S ! C10H21-1 = C10H21-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C10H21-1 = C10H21-5 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S DUPLICATE C10H21-1 = C10H21-5 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S DUPLICATE C10H21-2 = C10H21-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S DUPLICATE C10H21-2 = C10H21-5 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S DUPLICATE C10H21-2 = C10H21-4 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S C10H21-3 = C10H21-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C10H21-3 = C10H21-4 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S ! ! C9H19-1 = C9H19-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S DUPLICATE C9H19-1 = C9H19-5 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C9H19-1 = C9H19-4 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S DUPLICATE C9H19-2 = C9H19-5 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C9H19-2 = C9H19-4 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S C9H19-2 = C9H19-3 6.00E-01 3.35 1.400E+04 !ESTIMATED, 7M S-S C9H19-3 = C9H19-4 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S ! C8H17-1 = C8H17-3 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M P-S C8H17-1 = C8H17-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S DUPLICATE C8H17-1 = C8H17-4 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S DUPLICATE C8H17-2 = C8H17-4 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTYL=4OCTYL, 5M S-S C8H17-2 = C8H17-3 1.86E+00 3.27 1.320E+04 !TSANG 2009 2-OCTYL=3OCTYL, 6M S-S ! ! ! CLASS 5 H ATOM ABSTRACTION FROM OLEFINS ! !! !! C12H24-1+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 C12H24-2+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 C12H24-3+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 C12H24-4+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 C12H24-5+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 C12H24-6+HO2<=>C12H23+H2O2 7.580E+02 3.37 1.372E+04 ! C12H24-1 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 C12H24-2 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 C12H24-3 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 C12H24-4 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 C12H24-5 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 C12H24-6 + OH = C12H23+H2O 5.620E+07 1.61 -3.500E+01 ! C12H24-1+H = C12H23+H2 1.560E+07 2.40 4.471E+03 C12H24-2+H = C12H23+H2 1.560E+07 2.40 4.471E+03 C12H24-3+H = C12H23+H2 1.560E+07 2.40 4.471E+03 C12H24-4+H = C12H23+H2 1.560E+07 2.40 4.471E+03 C12H24-5+H = C12H23+H2 1.560E+07 2.40 4.471E+03 C12H24-6+H = C12H23+H2 1.560E+07 2.40 4.471E+03 ! C12H24-1+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 C12H24-2+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 C12H24-3+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 C12H24-4+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 C12H24-5+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 C12H24-6+CH3 = C12H23+CH4 1.810E+01 3.46 5.481E+03 ! C12H24-1+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 C12H24-2+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 C12H24-3+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 C12H24-4+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 C12H24-5+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 C12H24-6+O = C12H23 + OH 6.620E+06 2.45 2.830E+03 ! !! C11H22-1+HO2<=>C11H21+H2O2 6.950E+02 3.37 1.372E+04 C11H22-2+HO2<=>C11H21+H2O2 6.950E+02 3.37 1.372E+04 C11H22-3+HO2<=>C11H21+H2O2 6.950E+02 3.37 1.372E+04 C11H22-4+HO2<=>C11H21+H2O2 6.950E+02 3.37 1.372E+04 C11H22-5+HO2<=>C11H21+H2O2 6.950E+02 3.37 1.372E+04 ! C11H22-1 + OH = C11H21+H2O 5.150E+08 1.61 -3.500E+01 C11H22-2 + OH = C11H21+H2O 5.150E+08 1.61 -3.500E+01 C11H22-3 + OH = C11H21+H2O 5.150E+08 1.61 -3.500E+01 C11H22-4 + OH = C11H21+H2O 5.150E+08 1.61 -3.500E+01 C11H22-5 + OH = C11H21+H2O 5.150E+08 1.61 -3.500E+01 ! C11H22-1+H = C11H21+H2 1.430E+07 2.40 4.471E+03 C11H22-2+H = C11H21+H2 1.430E+07 2.40 4.471E+03 C11H22-3+H = C11H21+H2 1.430E+07 2.40 4.471E+03 C11H22-4+H = C11H21+H2 1.430E+07 2.40 4.471E+03 C11H22-5+H = C11H21+H2 1.430E+07 2.40 4.471E+03 ! C11H22-1+CH3 = C11H21+CH4 1.660E+01 3.46 5.481E+03 C11H22-2+CH3 = C11H21+CH4 1.660E+01 3.46 5.481E+03 C11H22-3+CH3 = C11H21+CH4 1.660E+01 3.46 5.481E+03 C11H22-4+CH3 = C11H21+CH4 1.660E+01 3.46 5.481E+03 C11H22-5+CH3 = C11H21+CH4 1.660E+01 3.46 5.481E+03 ! C11H22-1+O = C11H21 + OH 6.070E+06 2.45 2.830E+03 C11H22-2+O = C11H21 + OH 6.070E+06 2.45 2.830E+03 C11H22-3+O = C11H21 + OH 6.070E+06 2.45 2.830E+03 C11H22-4+O = C11H21 + OH 6.070E+06 2.45 2.830E+03 C11H22-5+O = C11H21 + OH 6.070E+06 2.45 2.830E+03 ! !! C10H20-1+HO2<=>C10H19+H2O2 6.320E+02 3.37 1.372E+04 C10H20-2+HO2<=>C10H19+H2O2 6.320E+02 3.37 1.372E+04 C10H20-3+HO2<=>C10H19+H2O2 6.320E+02 3.37 1.372E+04 C10H20-4+HO2<=>C10H19+H2O2 6.320E+02 3.37 1.372E+04 C10H20-5+HO2<=>C10H19+H2O2 6.320E+02 3.37 1.372E+04 ! C10H20-1 + OH = C10H19+H2O 4.680E+08 1.61 -3.500E+01 C10H20-2 + OH = C10H19+H2O 4.680E+08 1.61 -3.500E+01 C10H20-3 + OH = C10H19+H2O 4.680E+08 1.61 -3.500E+01 C10H20-4 + OH = C10H19+H2O 4.680E+08 1.61 -3.500E+01 C10H20-5 + OH = C10H19+H2O 4.680E+08 1.61 -3.500E+01 ! C10H20-1+H = C10H19+H2 1.300E+07 2.40 4.471E+03 C10H20-2+H = C10H19+H2 1.300E+07 2.40 4.471E+03 C10H20-3+H = C10H19+H2 1.300E+07 2.40 4.471E+03 C10H20-4+H = C10H19+H2 1.300E+07 2.40 4.471E+03 C10H20-5+H = C10H19+H2 1.300E+07 2.40 4.471E+03 ! C10H20-1+CH3 = C10H19+CH4 1.510E+01 3.46 5.481E+03 C10H20-2+CH3 = C10H19+CH4 1.510E+01 3.46 5.481E+03 C10H20-3+CH3 = C10H19+CH4 1.510E+01 3.46 5.481E+03 C10H20-4+CH3 = C10H19+CH4 1.510E+01 3.46 5.481E+03 C10H20-5+CH3 = C10H19+CH4 1.510E+01 3.46 5.481E+03 ! C10H20-1+O = C10H19 + OH 5.5200E+06 2.45 2.830E+03 C10H20-2+O = C10H19 + OH 5.5200E+06 2.45 2.830E+03 C10H20-3+O = C10H19 + OH 5.5200E+06 2.45 2.830E+03 C10H20-4+O = C10H19 + OH 5.5200E+06 2.45 2.830E+03 C10H20-5+O = C10H19 + OH 5.5200E+06 2.45 2.830E+03 ! ! C9H18-1+HO2<=>C9H17+H2O2 5.590E+02 3.37 1.372E+04 C9H18-2+HO2<=>C9H17+H2O2 5.590E+02 3.37 1.372E+04 C9H18-3+HO2<=>C9H17+H2O2 5.590E+02 3.37 1.372E+04 C9H18-4+HO2<=>C9H17+H2O2 5.590E+02 3.37 1.372E+04 ! C9H18-1 + OH = C9H17+H2O 4.210E+08 1.61 -3.500E+01 C9H18-2 + OH = C9H17+H2O 4.210E+08 1.61 -3.500E+01 C9H18-3 + OH = C9H17+H2O 4.210E+08 1.61 -3.500E+01 C9H18-4 + OH = C9H17+H2O 4.210E+08 1.61 -3.500E+01 ! C9H18-1+H = C9H17+H2 1.170E+07 2.40 4.471E+03 C9H18-2+H = C9H17+H2 1.170E+07 2.40 4.471E+03 C9H18-3+H = C9H17+H2 1.170E+07 2.40 4.471E+03 C9H18-4+H = C9H17+H2 1.170E+07 2.40 4.471E+03 ! C9H18-1+CH3 = C9H17+CH4 1.360E+01 3.46 5.481E+03 C9H18-2+CH3 = C9H17+CH4 1.360E+01 3.46 5.481E+03 C9H18-3+CH3 = C9H17+CH4 1.360E+01 3.46 5.481E+03 C9H18-4+CH3 = C9H17+CH4 1.360E+01 3.46 5.481E+03 ! C9H18-1+O = C9H17 + OH 4.970E+06 2.45 2.830E+03 C9H18-2+O = C9H17 + OH 4.970E+06 2.45 2.830E+03 C9H18-3+O = C9H17 + OH 4.970E+06 2.45 2.830E+03 C9H18-4+O = C9H17 + OH 4.970E+06 2.45 2.830E+03 ! ! C8H16-1+HO2<=>C8H15+H2O2 5.060E+02 3.37 1.372E+04 C8H16-2+HO2<=>C8H15+H2O2 5.060E+02 3.37 1.372E+04 C8H16-3+HO2<=>C8H15+H2O2 5.060E+02 3.37 1.372E+04 C8H16-4+HO2<=>C8H15+H2O2 5.060E+02 3.37 1.372E+04 ! C8H16-1 + OH = C8H15+H2O 3.740E+08 1.61 -3.500E+01 C8H16-2 + OH = C8H15+H2O 3.740E+08 1.61 -3.500E+01 C8H16-3 + OH = C8H15+H2O 3.740E+08 1.61 -3.500E+01 C8H16-4 + OH = C8H15+H2O 3.740E+08 1.61 -3.500E+01 ! C8H16-1+H = C8H15+H2 1.040E+07 2.40 4.471E+03 C8H16-2+H = C8H15+H2 1.040E+07 2.40 4.471E+03 C8H16-3+H = C8H15+H2 1.040E+07 2.40 4.471E+03 C8H16-4+H = C8H15+H2 1.040E+07 2.40 4.471E+03 ! C8H16-1+CH3 = C8H15+CH4 1.210E+01 3.46 5.481E+03 C8H16-2+CH3 = C8H15+CH4 1.210E+01 3.46 5.481E+03 C8H16-3+CH3 = C8H15+CH4 1.210E+01 3.46 5.481E+03 C8H16-4+CH3 = C8H15+CH4 1.210E+01 3.46 5.481E+03 ! C8H16-1+O = C8H15 + OH 4.420E+06 2.45 2.830E+03 C8H16-2+O = C8H15 + OH 4.420E+06 2.45 2.830E+03 C8H16-3+O = C8H15 + OH 4.420E+06 2.45 2.830E+03 C8H16-4+O = C8H15 + OH 4.420E+06 2.45 2.830E+03 ! ! ! ! ! CLASS 6 ADDITION REACTIONS WITH OLEFINS ! ! C12H24-1 + OH = CH2O+C11H23-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-1 + OH = CH3CHO+C10H21-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-1+O = CH2CHO+C10H21-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-2 + OH = CH3CHO+C10H21-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-2 + OH = C2H5CHO+C9H19-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-2+O = CH3CHO+C10H20-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-3 + OH = C2H5CHO+C9H19-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-3 + OH = NC3H7CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-3+O = C2H5CHO+C9H18-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-4 + OH = NC3H7CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-4 + OH = NC4H9CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-4+O = NC3H7CHO+C8H16-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-5 + OH = NC4H9CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-5 + OH = NC5H11CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-5+O = NC4H9CHO+C7H14-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-6 + OH = NC5H11CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H24-6+O = NC5H11CHO+C6H12-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H22-1 + OH = CH2O+C10H21-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-1 + OH = CH3CHO+C9H19-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-1+O = CH2CHO+C9H19-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-2 + OH = CH3CHO+C9H19-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-2 + OH = C2H5CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-2+O = CH3CHO+C9H18-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-3 + OH = C2H5CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-3 + OH = NC3H7CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-3+O = C2H5CHO+C8H16-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-4 + OH = NC3H7CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-4 + OH = NC4H9CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-4+O = NC3H7CHO+C7H14-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-5 + OH = NC4H9CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-5 + OH = NC5H11CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H22-5+O = NC4H9CHO+C6H12-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H20-1 + OH = CH2O+C9H19-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-1 + OH = CH3CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-1+O = CH2CHO+C8H17-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-2 + OH = CH3CHO+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-2 + OH = C2H5CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-2+O = CH3CHO+C8H16-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-3 + OH = C2H5CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-3 + OH = NC3H7CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-3+O = C2H5CHO+C7H14-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-4 + OH = NC3H7CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-4 + OH = NC4H9CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-4+O = NC3H7CHO+C6H12-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-5 + OH = NC4H9CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H20-5+O = NC4H9CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H18-1 + OH = CH2O+C8H17-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-1 + OH = CH3CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-1+O = CH2CHO+C7H15-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-2 + OH = CH3CHO+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-2 + OH = C2H5CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-2+O = CH3CHO+C7H14-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-3 + OH = C2H5CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-3 + OH = NC3H7CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-3+O = C2H5CHO+C6H12-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-4 + OH = NC3H7CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-4 + OH = NC4H9CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H18-4+O = NC3H7CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H16-1 + OH = CH2O+C7H15-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-1 + OH = CH3CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-1+O = CH2CHO+C6H13-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-2 + OH = CH3CHO+C6H13-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-2 + OH = C2H5CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-2+O = CH3CHO+C6H12-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-3 + OH = C2H5CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-3 + OH = NC3H7CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-3+O = C2H5CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-4 + OH = NC3H7CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H16-4+O = NC3H7CHO+C4H8-1 1.000E+11 0.00 -1.050E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! CLASS 7 ! ! ! ! ! ! C12H23+HO2<=>AC3H5CHO+C8H17-1 + OH 9.640E+12 0.00 0.000E+00 C12H23+CH3O2<=>AC3H5CHO+C8H17-1+CH3O 9.640E+12 0.00 0.000E+00 C12H23+C2H5O2<=>AC3H5CHO+C8H17-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! C11H21+HO2<=>AC3H5CHO+C7H15-1 + OH 9.640E+12 0.00 0.000E+00 C11H21+CH3O2<=>AC3H5CHO+C7H15-1+CH3O 9.640E+12 0.00 0.000E+00 C11H21+C2H5O2<=>AC3H5CHO+C7H15-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! C10H19+HO2<=>AC3H5CHO+C6H13-1 + OH 9.640E+12 0.00 0.000E+00 C10H19+CH3O2<=>AC3H5CHO+C6H13-1+CH3O 9.640E+12 0.00 0.000E+00 C10H19+C2H5O2<=>AC3H5CHO+C6H13-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! C9H17+HO2<=>AC3H5CHO+C5H11-1 + OH 9.640E+12 0.00 0.000E+00 C9H17+CH3O2<=>AC3H5CHO+C5H11-1+CH3O 9.640E+12 0.00 0.000E+00 C9H17+C2H5O2<=>AC3H5CHO+C5H11-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! C8H15+HO2<=>AC3H5CHO+PC4H9 + OH 9.640E+12 0.00 0.000E+00 C8H15+CH3O2<=>AC3H5CHO+PC4H9+CH3O 9.640E+12 0.00 0.000E+00 C8H15+C2H5O2<=>AC3H5CHO+PC4H9+C2H5O 9.640E+12 0.00 0.000E+00 ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION ! GLOBAL REACTIONS ! ! C12H23 = C2H3+C10H20-1 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C3H5-A+C9H18-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C4H71-1+C8H16-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C5H91-5+C7H14-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C6H111-6+C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C7H131-7+C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C8H15+C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C9H17+C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23 = C10H19+C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C11H21 = C2H3+C9H18-1 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C3H5-A+C8H16-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C4H71-1+C7H14-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C5H91-5+C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C6H111-6+C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C7H131-7+C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C8H15+C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21 = C9H17+C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C10H19 = C2H3+C8H16-1 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C3H5-A+C7H14-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C4H71-1+C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C5H91-5+C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C6H111-6+C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C7H131-7+C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19 = C8H15+C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C9H17 = C2H3+C7H14-1 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17 = C3H5-A+C6H12-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17 = C4H71-1+C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17 = C5H91-5+C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17 = C6H111-6+C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17 = C7H131-7+C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C8H15 = C2H3+C6H12-1 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15 = C3H5-A+C5H10-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15 = C4H71-1+C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15 = C5H91-5+C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15 = C6H111-6+C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! CLASS 9 OLEFIN DECOMPOSITION ! ! C12H24-1 = C9H19-1+C3H5-A 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C12H24-2 = C4H71-1+C8H17-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C12H24-3 = C5H91-5+C7H15-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C12H24-4 = C6H111-6+C6H13-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C12H24-5 = C7H131-7+C5H11-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C12H24-6 = C8H15+PC4H9 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / ! C11H22-1 = C8H17-1+C3H5-A 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C11H22-2 = C4H71-1+C7H15-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C11H22-3 = C5H91-5+C6H13-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C11H22-4 = C6H111-6+C5H11-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C11H22-5 = C7H131-7+PC4H9 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / ! C10H20-1 = C7H15-1+C3H5-A 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C10H20-2 = C4H71-1+C6H13-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C10H20-3 = C5H91-5+C5H11-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C10H20-4 = C6H111-6+PC4H9 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C10H20-5 = C7H131-7+NC3H7 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / ! C9H18-1 = C6H13-1+C3H5-A 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C9H18-2 = C4H71-1+C5H11-1 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C9H18-3 = C5H91-5+PC4H9 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C9H18-4 = C6H111-6+NC3H7 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / ! C8H16-1 = C5H11-1+C3H5-A 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C8H16-2 = C4H71-1+PC4H9 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C8H16-3 = C5H91-5+NC3H7 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / C8H16-4 = C6H111-6+C2H5 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! CLASS 10 RETROENE REACTIONS ! ! C8H16-1 = C5H10-1 + C3H6 3.98E+12 0 57629 C9H18-1 = C6H12-1 + C3H6 3.98E+12 0 57629 C10H20-1 = C7H14-1 + C3H6 3.98E+12 0 57629 C11H22-1 = C8H16-1 + C3H6 3.98E+12 0 57629 C12H24-1 = C9H18-1 + C3H6 3.98E+12 0 57629 ! ! C8H16-2 = C4H8-1 + C4H8-1 3.98E+12 0 57629 C9H18-2 = C5H10-1 + C4H8-1 3.98E+12 0 57629 C10H20-2 = C6H12-1 + C4H8-1 3.98E+12 0 57629 C11H22-2 = C7H14-1 + C4H8-1 3.98E+12 0 57629 C12H24-2 = C8H16-1 + C4H8-1 3.98E+12 0 57629 ! ! C8H16-3 = C3H6 + C5H10-1 3.98E+12 0 57629 C9H18-3 = C4H8-1 + C5H10-1 3.98E+12 0 57629 C10H20-3 = C5H10-1 + C5H10-1 3.98E+12 0 57629 C11H22-3 = C6H12-1 + C5H10-1 3.98E+12 0 57629 C12H24-3 = C7H14-1 + C5H10-1 3.98E+12 0 57629 ! ! C8H16-4 = C2H4 + C6H12-1 3.98E+12 0 57629 C9H18-4 = C3H6 + C6H12-1 3.98E+12 0 57629 C10H20-4 = C4H8-1 + C6H12-1 3.98E+12 0 57629 C11H22-4 = C5H10-1 + C6H12-1 3.98E+12 0 57629 C12H24-4 = C6H12-1 + C6H12-1 3.98E+12 0 57629 ! ! C9H18-4 = C2H4 + C7H14-1 3.98E+12 0 57629 C10H20-4 = C2H4 + C8H16-1 3.98E+12 0 57629 C11H22-4 = C2H4 + C9H18-1 3.98E+12 0 57629 C12H24-4 = C2H4 + C10H20-1 3.98E+12 0 57629 ! ! C10H20-5 = C3H6 + C7H14-1 3.98E+12 0 57629 C11H22-5 = C4H8-1 + C7H14-1 3.98E+12 0 57629 C12H24-5 = C5H10-1 + C7H14-1 3.98E+12 0 57629 ! ! C11H22-5 = C3H6 + C8H16-1 3.98E+12 0 57629 C12H24-5 = C3H6 + C9H18-1 3.98E+12 0 57629 ! ! C12H24-6 = C4H8-1 + C8H16-1 3.98E+12 0 57629 ! ! ! ! ! CLASS 11 ! ! ADDITION OF O2 TO ALKYL RADICALS ! C12H25-1 + O2 = C12H25O2-1 4.520E+12 0.00 0.000E+00 C12H25-2 + O2 = C12H25O2-2 7.540E+12 0.00 0.000E+00 C12H25-3 + O2 = C12H25O2-3 7.540E+12 0.00 0.000E+00 C12H25-4 + O2 = C12H25O2-4 7.540E+12 0.00 0.000E+00 C12H25-5 + O2 = C12H25O2-5 7.540E+12 0.00 0.000E+00 C12H25-6 + O2 = C12H25O2-6 7.540E+12 0.00 0.000E+00 C11H23-1 + O2 = C11H23O2-1 4.520E+12 0.00 0.000E+00 C11H23-2 + O2 = C11H23O2-2 7.540E+12 0.00 0.000E+00 C11H23-3 + O2 = C11H23O2-3 7.540E+12 0.00 0.000E+00 C11H23-4 + O2 = C11H23O2-4 7.540E+12 0.00 0.000E+00 C11H23-5 + O2 = C11H23O2-5 7.540E+12 0.00 0.000E+00 C11H23-6 + O2 = C11H23O2-6 7.540E+12 0.00 0.000E+00 C10H21-1 + O2 = C10H21O2-1 4.520E+12 0.00 0.000E+00 C10H21-2 + O2 = C10H21O2-2 7.540E+12 0.00 0.000E+00 C10H21-3 + O2 = C10H21O2-3 7.540E+12 0.00 0.000E+00 C10H21-4 + O2 = C10H21O2-4 7.540E+12 0.00 0.000E+00 C10H21-5 + O2 = C10H21O2-5 7.540E+12 0.00 0.000E+00 C9H19-1 + O2 = C9H19O2-1 4.520E+12 0.00 0.000E+00 C9H19-2 + O2 = C9H19O2-2 7.540E+12 0.00 0.000E+00 C9H19-3 + O2 = C9H19O2-3 7.540E+12 0.00 0.000E+00 C9H19-4 + O2 = C9H19O2-4 7.540E+12 0.00 0.000E+00 C9H19-5 + O2 = C9H19O2-5 7.540E+12 0.00 0.000E+00 C8H17-1 + O2 = C8H17O2-1 4.520E+12 0.00 0.000E+00 C8H17-2 + O2 = C8H17O2-2 7.540E+12 0.00 0.000E+00 C8H17-3 + O2 = C8H17O2-3 7.540E+12 0.00 0.000E+00 C8H17-4 + O2 = C8H17O2-4 7.540E+12 0.00 0.000E+00 ! ! ! CLASS 12 ! ! R + RO2 = RO + RO ! ! C12H25-1+C12H25O2-1 = C12H25O-1+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-1+C12H25O2-2 = C12H25O-1+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-1+C12H25O2-3 = C12H25O-1+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-1+C12H25O2-4 = C12H25O-1+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-1+C12H25O2-5 = C12H25O-1+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-1+C12H25O2-6 = C12H25O-1+C12H25O-6 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-1 = C12H25O-2+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-2 = C12H25O-2+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-3 = C12H25O-2+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-4 = C12H25O-2+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-5 = C12H25O-2+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-2+C12H25O2-6 = C12H25O-2+C12H25O-6 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-1 = C12H25O-3+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-2 = C12H25O-3+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-3 = C12H25O-3+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-4 = C12H25O-3+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-5 = C12H25O-3+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-3+C12H25O2-6 = C12H25O-3+C12H25O-6 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-1 = C12H25O-4+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-2 = C12H25O-4+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-3 = C12H25O-4+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-4 = C12H25O-4+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-5 = C12H25O-4+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-4+C12H25O2-6 = C12H25O-4+C12H25O-6 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-1 = C12H25O-5+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-2 = C12H25O-5+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-3 = C12H25O-5+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-4 = C12H25O-5+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-5 = C12H25O-5+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-5+C12H25O2-6 = C12H25O-5+C12H25O-6 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-1 = C12H25O-6+C12H25O-1 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-2 = C12H25O-6+C12H25O-2 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-3 = C12H25O-6+C12H25O-3 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-4 = C12H25O-6+C12H25O-4 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-5 = C12H25O-6+C12H25O-5 7.000E+12 0.00 -1.000E+03 C12H25-6+C12H25O2-6 = C12H25O-6+C12H25O-6 7.000E+12 0.00 -1.000E+03 ! C11H23-1+C11H23O2-1 = C11H23O-1+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-1+C11H23O2-2 = C11H23O-1+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-1+C11H23O2-3 = C11H23O-1+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-1+C11H23O2-4 = C11H23O-1+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-1+C11H23O2-5 = C11H23O-1+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-1+C11H23O2-6 = C11H23O-1+C11H23O-6 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-1 = C11H23O-2+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-2 = C11H23O-2+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-3 = C11H23O-2+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-4 = C11H23O-2+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-5 = C11H23O-2+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-2+C11H23O2-6 = C11H23O-2+C11H23O-6 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-1 = C11H23O-3+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-2 = C11H23O-3+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-3 = C11H23O-3+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-4 = C11H23O-3+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-5 = C11H23O-3+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-3+C11H23O2-6 = C11H23O-3+C11H23O-6 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-1 = C11H23O-4+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-2 = C11H23O-4+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-3 = C11H23O-4+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-4 = C11H23O-4+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-5 = C11H23O-4+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-4+C11H23O2-6 = C11H23O-4+C11H23O-6 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-1 = C11H23O-5+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-2 = C11H23O-5+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-3 = C11H23O-5+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-4 = C11H23O-5+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-5 = C11H23O-5+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-5+C11H23O2-6 = C11H23O-5+C11H23O-6 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-1 = C11H23O-6+C11H23O-1 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-2 = C11H23O-6+C11H23O-2 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-3 = C11H23O-6+C11H23O-3 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-4 = C11H23O-6+C11H23O-4 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-5 = C11H23O-6+C11H23O-5 7.000E+12 0.00 -1.000E+03 C11H23-6+C11H23O2-6 = C11H23O-6+C11H23O-6 7.000E+12 0.00 -1.000E+03 ! C10H21-1+C10H21O2-1 = C10H21O-1+C10H21O-1 7.000E+12 0.00 -1.000E+03 C10H21-1+C10H21O2-2 = C10H21O-1+C10H21O-2 7.000E+12 0.00 -1.000E+03 C10H21-1+C10H21O2-3 = C10H21O-1+C10H21O-3 7.000E+12 0.00 -1.000E+03 C10H21-1+C10H21O2-4 = C10H21O-1+C10H21O-4 7.000E+12 0.00 -1.000E+03 C10H21-1+C10H21O2-5 = C10H21O-1+C10H21O-5 7.000E+12 0.00 -1.000E+03 C10H21-2+C10H21O2-1 = C10H21O-2+C10H21O-1 7.000E+12 0.00 -1.000E+03 C10H21-2+C10H21O2-2 = C10H21O-2+C10H21O-2 7.000E+12 0.00 -1.000E+03 C10H21-2+C10H21O2-3 = C10H21O-2+C10H21O-3 7.000E+12 0.00 -1.000E+03 C10H21-2+C10H21O2-4 = C10H21O-2+C10H21O-4 7.000E+12 0.00 -1.000E+03 C10H21-2+C10H21O2-5 = C10H21O-2+C10H21O-5 7.000E+12 0.00 -1.000E+03 C10H21-3+C10H21O2-1 = C10H21O-3+C10H21O-1 7.000E+12 0.00 -1.000E+03 C10H21-3+C10H21O2-2 = C10H21O-3+C10H21O-2 7.000E+12 0.00 -1.000E+03 C10H21-3+C10H21O2-3 = C10H21O-3+C10H21O-3 7.000E+12 0.00 -1.000E+03 C10H21-3+C10H21O2-4 = C10H21O-3+C10H21O-4 7.000E+12 0.00 -1.000E+03 C10H21-3+C10H21O2-5 = C10H21O-3+C10H21O-5 7.000E+12 0.00 -1.000E+03 C10H21-4+C10H21O2-1 = C10H21O-4+C10H21O-1 7.000E+12 0.00 -1.000E+03 C10H21-4+C10H21O2-2 = C10H21O-4+C10H21O-2 7.000E+12 0.00 -1.000E+03 C10H21-4+C10H21O2-3 = C10H21O-4+C10H21O-3 7.000E+12 0.00 -1.000E+03 C10H21-4+C10H21O2-4 = C10H21O-4+C10H21O-4 7.000E+12 0.00 -1.000E+03 C10H21-4+C10H21O2-5 = C10H21O-4+C10H21O-5 7.000E+12 0.00 -1.000E+03 C10H21-5+C10H21O2-1 = C10H21O-5+C10H21O-1 7.000E+12 0.00 -1.000E+03 C10H21-5+C10H21O2-2 = C10H21O-5+C10H21O-2 7.000E+12 0.00 -1.000E+03 C10H21-5+C10H21O2-3 = C10H21O-5+C10H21O-3 7.000E+12 0.00 -1.000E+03 C10H21-5+C10H21O2-4 = C10H21O-5+C10H21O-4 7.000E+12 0.00 -1.000E+03 C10H21-5+C10H21O2-5 = C10H21O-5+C10H21O-5 7.000E+12 0.00 -1.000E+03 ! C9H19-1+C9H19O2-1 = C9H19O-1+C9H19O-1 7.000E+12 0.00 -1.000E+03 C9H19-1+C9H19O2-2 = C9H19O-1+C9H19O-2 7.000E+12 0.00 -1.000E+03 C9H19-1+C9H19O2-3 = C9H19O-1+C9H19O-3 7.000E+12 0.00 -1.000E+03 C9H19-1+C9H19O2-4 = C9H19O-1+C9H19O-4 7.000E+12 0.00 -1.000E+03 C9H19-1+C9H19O2-5 = C9H19O-1+C9H19O-5 7.000E+12 0.00 -1.000E+03 C9H19-2+C9H19O2-1 = C9H19O-2+C9H19O-1 7.000E+12 0.00 -1.000E+03 C9H19-2+C9H19O2-2 = C9H19O-2+C9H19O-2 7.000E+12 0.00 -1.000E+03 C9H19-2+C9H19O2-3 = C9H19O-2+C9H19O-3 7.000E+12 0.00 -1.000E+03 C9H19-2+C9H19O2-4 = C9H19O-2+C9H19O-4 7.000E+12 0.00 -1.000E+03 C9H19-2+C9H19O2-5 = C9H19O-2+C9H19O-5 7.000E+12 0.00 -1.000E+03 C9H19-3+C9H19O2-1 = C9H19O-3+C9H19O-1 7.000E+12 0.00 -1.000E+03 C9H19-3+C9H19O2-2 = C9H19O-3+C9H19O-2 7.000E+12 0.00 -1.000E+03 C9H19-3+C9H19O2-3 = C9H19O-3+C9H19O-3 7.000E+12 0.00 -1.000E+03 C9H19-3+C9H19O2-4 = C9H19O-3+C9H19O-4 7.000E+12 0.00 -1.000E+03 C9H19-3+C9H19O2-5 = C9H19O-3+C9H19O-5 7.000E+12 0.00 -1.000E+03 C9H19-4+C9H19O2-1 = C9H19O-4+C9H19O-1 7.000E+12 0.00 -1.000E+03 C9H19-4+C9H19O2-2 = C9H19O-4+C9H19O-2 7.000E+12 0.00 -1.000E+03 C9H19-4+C9H19O2-3 = C9H19O-4+C9H19O-3 7.000E+12 0.00 -1.000E+03 C9H19-4+C9H19O2-4 = C9H19O-4+C9H19O-4 7.000E+12 0.00 -1.000E+03 C9H19-4+C9H19O2-5 = C9H19O-4+C9H19O-5 7.000E+12 0.00 -1.000E+03 C9H19-5+C9H19O2-1 = C9H19O-5+C9H19O-1 7.000E+12 0.00 -1.000E+03 C9H19-5+C9H19O2-2 = C9H19O-5+C9H19O-2 7.000E+12 0.00 -1.000E+03 C9H19-5+C9H19O2-3 = C9H19O-5+C9H19O-3 7.000E+12 0.00 -1.000E+03 C9H19-5+C9H19O2-4 = C9H19O-5+C9H19O-4 7.000E+12 0.00 -1.000E+03 C9H19-5+C9H19O2-5 = C9H19O-5+C9H19O-5 7.000E+12 0.00 -1.000E+03 ! C8H17-1+C8H17O2-1 = C8H17O-1+C8H17O-1 7.000E+12 0.00 -1.000E+03 C8H17-1+C8H17O2-2 = C8H17O-1+C8H17O-2 7.000E+12 0.00 -1.000E+03 C8H17-1+C8H17O2-3 = C8H17O-1+C8H17O-3 7.000E+12 0.00 -1.000E+03 C8H17-1+C8H17O2-4 = C8H17O-1+C8H17O-4 7.000E+12 0.00 -1.000E+03 C8H17-2+C8H17O2-1 = C8H17O-2+C8H17O-1 7.000E+12 0.00 -1.000E+03 C8H17-2+C8H17O2-2 = C8H17O-2+C8H17O-2 7.000E+12 0.00 -1.000E+03 C8H17-2+C8H17O2-3 = C8H17O-2+C8H17O-3 7.000E+12 0.00 -1.000E+03 C8H17-2+C8H17O2-4 = C8H17O-2+C8H17O-4 7.000E+12 0.00 -1.000E+03 C8H17-3+C8H17O2-1 = C8H17O-3+C8H17O-1 7.000E+12 0.00 -1.000E+03 C8H17-3+C8H17O2-2 = C8H17O-3+C8H17O-2 7.000E+12 0.00 -1.000E+03 C8H17-3+C8H17O2-3 = C8H17O-3+C8H17O-3 7.000E+12 0.00 -1.000E+03 C8H17-3+C8H17O2-4 = C8H17O-3+C8H17O-4 7.000E+12 0.00 -1.000E+03 C8H17-4+C8H17O2-1 = C8H17O-4+C8H17O-1 7.000E+12 0.00 -1.000E+03 C8H17-4+C8H17O2-2 = C8H17O-4+C8H17O-2 7.000E+12 0.00 -1.000E+03 C8H17-4+C8H17O2-3 = C8H17O-4+C8H17O-3 7.000E+12 0.00 -1.000E+03 C8H17-4+C8H17O2-4 = C8H17O-4+C8H17O-4 7.000E+12 0.00 -1.000E+03 ! ! ! ! CLASS 13 ! ! R + HO2 = RO + OH REACTIONS ! ! C12H25-1+HO2 = C12H25O-1 + OH 7.000E+12 0.00 -1.000E+03 C12H25-2+HO2 = C12H25O-2 + OH 7.000E+12 0.00 -1.000E+03 C12H25-3+HO2 = C12H25O-3 + OH 7.000E+12 0.00 -1.000E+03 C12H25-4+HO2 = C12H25O-4 + OH 7.000E+12 0.00 -1.000E+03 C12H25-5+HO2 = C12H25O-5 + OH 7.000E+12 0.00 -1.000E+03 C12H25-6+HO2 = C12H25O-6 + OH 7.000E+12 0.00 -1.000E+03 ! C11H23-1+HO2 = C11H23O-1 + OH 7.000E+12 0.00 -1.000E+03 C11H23-2+HO2 = C11H23O-2 + OH 7.000E+12 0.00 -1.000E+03 C11H23-3+HO2 = C11H23O-3 + OH 7.000E+12 0.00 -1.000E+03 C11H23-4+HO2 = C11H23O-4 + OH 7.000E+12 0.00 -1.000E+03 C11H23-5+HO2 = C11H23O-5 + OH 7.000E+12 0.00 -1.000E+03 C11H23-6+HO2 = C11H23O-6 + OH 7.000E+12 0.00 -1.000E+03 ! C10H21-1+HO2 = C10H21O-1 + OH 7.000E+12 0.00 -1.000E+03 C10H21-2+HO2 = C10H21O-2 + OH 7.000E+12 0.00 -1.000E+03 C10H21-3+HO2 = C10H21O-3 + OH 7.000E+12 0.00 -1.000E+03 C10H21-4+HO2 = C10H21O-4 + OH 7.000E+12 0.00 -1.000E+03 C10H21-5+HO2 = C10H21O-5 + OH 7.000E+12 0.00 -1.000E+03 ! C9H19-1+HO2 = C9H19O-1 + OH 7.000E+12 0.00 -1.000E+03 C9H19-2+HO2 = C9H19O-2 + OH 7.000E+12 0.00 -1.000E+03 C9H19-3+HO2 = C9H19O-3 + OH 7.000E+12 0.00 -1.000E+03 C9H19-4+HO2 = C9H19O-4 + OH 7.000E+12 0.00 -1.000E+03 C9H19-5+HO2 = C9H19O-5 + OH 7.000E+12 0.00 -1.000E+03 ! C8H17-1+HO2 = C8H17O-1 + OH 7.000E+12 0.00 -1.000E+03 C8H17-2+HO2 = C8H17O-2 + OH 7.000E+12 0.00 -1.000E+03 C8H17-3+HO2 = C8H17O-3 + OH 7.000E+12 0.00 -1.000E+03 C8H17-4+HO2 = C8H17O-4 + OH 7.000E+12 0.00 -1.000E+03 ! ! CLASS 14 ! ! R + CH3O2 = RO + OH REACTIONS ! ! C12H25-1+CH3O2 = C12H25O-1+CH3O 7.000E+12 0.00 -1.000E+03 C12H25-2+CH3O2 = C12H25O-2+CH3O 7.000E+12 0.00 -1.000E+03 C12H25-3+CH3O2 = C12H25O-3+CH3O 7.000E+12 0.00 -1.000E+03 C12H25-4+CH3O2 = C12H25O-4+CH3O 7.000E+12 0.00 -1.000E+03 C12H25-5+CH3O2 = C12H25O-5+CH3O 7.000E+12 0.00 -1.000E+03 C12H25-6+CH3O2 = C12H25O-6+CH3O 7.000E+12 0.00 -1.000E+03 ! C11H23-1+CH3O2 = C11H23O-1+CH3O 7.000E+12 0.00 -1.000E+03 C11H23-2+CH3O2 = C11H23O-2+CH3O 7.000E+12 0.00 -1.000E+03 C11H23-3+CH3O2 = C11H23O-3+CH3O 7.000E+12 0.00 -1.000E+03 C11H23-4+CH3O2 = C11H23O-4+CH3O 7.000E+12 0.00 -1.000E+03 C11H23-5+CH3O2 = C11H23O-5+CH3O 7.000E+12 0.00 -1.000E+03 C11H23-6+CH3O2 = C11H23O-6+CH3O 7.000E+12 0.00 -1.000E+03 ! C10H21-1+CH3O2 = C10H21O-1+CH3O 7.000E+12 0.00 -1.000E+03 C10H21-2+CH3O2 = C10H21O-2+CH3O 7.000E+12 0.00 -1.000E+03 C10H21-3+CH3O2 = C10H21O-3+CH3O 7.000E+12 0.00 -1.000E+03 C10H21-4+CH3O2 = C10H21O-4+CH3O 7.000E+12 0.00 -1.000E+03 C10H21-5+CH3O2 = C10H21O-5+CH3O 7.000E+12 0.00 -1.000E+03 ! C9H19-1+CH3O2 = C9H19O-1+CH3O 7.000E+12 0.00 -1.000E+03 C9H19-2+CH3O2 = C9H19O-2+CH3O 7.000E+12 0.00 -1.000E+03 C9H19-3+CH3O2 = C9H19O-3+CH3O 7.000E+12 0.00 -1.000E+03 C9H19-4+CH3O2 = C9H19O-4+CH3O 7.000E+12 0.00 -1.000E+03 C9H19-5+CH3O2 = C9H19O-5+CH3O 7.000E+12 0.00 -1.000E+03 ! C8H17-1+CH3O2 = C8H17O-1+CH3O 7.000E+12 0.00 -1.000E+03 C8H17-2+CH3O2 = C8H17O-2+CH3O 7.000E+12 0.00 -1.000E+03 C8H17-3+CH3O2 = C8H17O-3+CH3O 7.000E+12 0.00 -1.000E+03 C8H17-4+CH3O2 = C8H17O-4+CH3O 7.000E+12 0.00 -1.000E+03 ! ! CLASS 15 ! ! RO2 ISOMERIZATION ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS ! ! C12H25O2-1 = C12OOH1-2 2.000E+11 0.00 2.645E+04 C12H25O2-1 = C12OOH1-3 2.500E+10 0.00 2.045E+04 C12H25O2-1 = C12OOH1-4 3.125E+09 0.00 1.865E+04 C12H25O2-1 = C12OOH1-5 3.906E+08 0.00 2.165E+04 C12H25O2-2 = C12OOH2-1 3.000E+11 0.00 2.900E+04 C12H25O2-2 = C12OOH2-3 2.000E+11 0.00 2.645E+04 C12H25O2-2 = C12OOH2-4 2.500E+10 0.00 2.045E+04 C12H25O2-2 = C12OOH2-5 3.125E+09 0.00 1.865E+04 C12H25O2-2 = C12OOH2-6 3.906E+08 0.00 2.165E+04 C12H25O2-3 = C12OOH3-1 3.750E+10 0.00 2.400E+04 C12H25O2-3 = C12OOH3-2 2.000E+11 0.00 2.645E+04 C12H25O2-3 = C12OOH3-4 2.000E+11 0.00 2.645E+04 C12H25O2-3 = C12OOH3-5 2.500E+10 0.00 2.045E+04 C12H25O2-3 = C12OOH3-6 3.125E+09 0.00 1.865E+04 C12H25O2-3 = C12OOH3-7 3.906E+08 0.00 2.165E+04 C12H25O2-4 = C12OOH4-1 4.680E+09 0.00 2.195E+04 C12H25O2-4 = C12OOH4-2 2.500E+10 0.00 2.045E+04 C12H25O2-4 = C12OOH4-3 2.000E+11 0.00 2.645E+04 C12H25O2-4 = C12OOH4-5 2.000E+11 0.00 2.645E+04 C12H25O2-4 = C12OOH4-6 2.500E+10 0.00 2.045E+04 C12H25O2-4 = C12OOH4-7 3.125E+09 0.00 1.865E+04 C12H25O2-4 = C12OOH4-8 3.906E+08 0.00 2.165E+04 C12H25O2-5 = C12OOH5-1 5.860E+08 0.00 2.515E+04 C12H25O2-5 = C12OOH5-2 3.125E+09 0.00 1.865E+04 C12H25O2-5 = C12OOH5-3 2.500E+10 0.00 2.045E+04 C12H25O2-5 = C12OOH5-4 2.000E+11 0.00 2.645E+04 C12H25O2-5 = C12OOH5-6 2.000E+11 0.00 2.645E+04 C12H25O2-5 = C12OOH5-7 2.500E+10 0.00 2.045E+04 C12H25O2-5 = C12OOH5-8 3.125E+09 0.00 1.865E+04 C12H25O2-5 = C12OOH5-9 3.906E+08 0.00 2.165E+04 C12H25O2-6 = C12OOH6-2 3.906E+08 0.00 2.165E+04 C12H25O2-6 = C12OOH6-3 3.125E+09 0.00 1.865E+04 C12H25O2-6 = C12OOH6-4 2.500E+10 0.00 2.045E+04 C12H25O2-6 = C12OOH6-5 2.000E+11 0.00 2.645E+04 C12H25O2-6 = C12OOH6-7 2.000E+11 0.00 2.645E+04 C12H25O2-6 = C12OOH6-8 2.500E+10 0.00 2.045E+04 C12H25O2-6 = C12OOH6-9 3.125E+09 0.00 1.865E+04 C12H25O2-6 = C12OOH6-10 3.906E+08 0.00 2.165E+04 ! C11H23O2-1 = C11OOH1-2 2.000E+11 0.00 2.645E+04 C11H23O2-1 = C11OOH1-3 2.500E+10 0.00 2.045E+04 C11H23O2-1 = C11OOH1-4 3.125E+09 0.00 1.865E+04 C11H23O2-1 = C11OOH1-5 3.906E+08 0.00 2.165E+04 C11H23O2-2 = C11OOH2-1 3.000E+11 0.00 2.900E+04 C11H23O2-2 = C11OOH2-3 2.000E+11 0.00 2.645E+04 C11H23O2-2 = C11OOH2-4 2.500E+10 0.00 2.045E+04 C11H23O2-2 = C11OOH2-5 3.125E+09 0.00 1.865E+04 C11H23O2-2 = C11OOH2-6 3.906E+08 0.00 2.165E+04 C11H23O2-3 = C11OOH3-1 3.750E+10 0.00 2.400E+04 C11H23O2-3 = C11OOH3-2 2.000E+11 0.00 2.645E+04 C11H23O2-3 = C11OOH3-4 2.000E+11 0.00 2.645E+04 C11H23O2-3 = C11OOH3-5 2.500E+10 0.00 2.045E+04 C11H23O2-3 = C11OOH3-6 3.125E+09 0.00 1.865E+04 C11H23O2-3 = C11OOH3-7 3.906E+08 0.00 2.165E+04 C11H23O2-4 = C11OOH4-1 4.680E+09 0.00 2.195E+04 C11H23O2-4 = C11OOH4-2 2.500E+10 0.00 2.045E+04 C11H23O2-4 = C11OOH4-3 2.000E+11 0.00 2.645E+04 C11H23O2-4 = C11OOH4-5 2.000E+11 0.00 2.645E+04 C11H23O2-4 = C11OOH4-6 2.500E+10 0.00 2.045E+04 C11H23O2-4 = C11OOH4-7 3.125E+09 0.00 1.865E+04 C11H23O2-4 = C11OOH4-8 3.906E+08 0.00 2.165E+04 C11H23O2-5 = C11OOH5-1 5.860E+08 0.00 2.515E+04 C11H23O2-5 = C11OOH5-2 3.125E+09 0.00 1.865E+04 C11H23O2-5 = C11OOH5-3 2.500E+10 0.00 2.045E+04 C11H23O2-5 = C11OOH5-4 2.000E+11 0.00 2.645E+04 C11H23O2-5 = C11OOH5-6 2.000E+11 0.00 2.645E+04 C11H23O2-5 = C11OOH5-7 2.500E+10 0.00 2.045E+04 C11H23O2-5 = C11OOH5-8 3.125E+09 0.00 1.865E+04 C11H23O2-5 = C11OOH5-9 3.906E+08 0.00 2.165E+04 C11H23O2-6 = C11OOH6-2 3.906E+08 0.00 2.165E+04 C11H23O2-6 = C11OOH6-3 3.125E+09 0.00 1.865E+04 C11H23O2-6 = C11OOH6-4 2.500E+10 0.00 2.045E+04 C11H23O2-6 = C11OOH6-5 2.000E+11 0.00 2.645E+04 ! C10H21O2-1 = C10OOH1-2 2.000E+11 0.00 2.645E+04 C10H21O2-1 = C10OOH1-3 2.500E+10 0.00 2.045E+04 C10H21O2-1 = C10OOH1-4 3.125E+09 0.00 1.865E+04 C10H21O2-1 = C10OOH1-5 3.906E+08 0.00 2.165E+04 C10H21O2-2 = C10OOH2-1 3.000E+11 0.00 2.900E+04 C10H21O2-2 = C10OOH2-3 2.000E+11 0.00 2.645E+04 C10H21O2-2 = C10OOH2-4 2.500E+10 0.00 2.045E+04 C10H21O2-2 = C10OOH2-5 3.125E+09 0.00 1.865E+04 C10H21O2-2 = C10OOH2-6 3.906E+08 0.00 2.165E+04 C10H21O2-3 = C10OOH3-1 3.750E+10 0.00 2.400E+04 C10H21O2-3 = C10OOH3-2 2.000E+11 0.00 2.645E+04 C10H21O2-3 = C10OOH3-4 2.000E+11 0.00 2.645E+04 C10H21O2-3 = C10OOH3-5 2.500E+10 0.00 2.045E+04 C10H21O2-3 = C10OOH3-6 3.125E+09 0.00 1.865E+04 C10H21O2-3 = C10OOH3-7 3.906E+08 0.00 2.165E+04 C10H21O2-4 = C10OOH4-1 4.680E+09 0.00 2.195E+04 C10H21O2-4 = C10OOH4-2 2.500E+10 0.00 2.045E+04 C10H21O2-4 = C10OOH4-3 2.000E+11 0.00 2.645E+04 C10H21O2-4 = C10OOH4-5 2.000E+11 0.00 2.645E+04 C10H21O2-4 = C10OOH4-6 2.500E+10 0.00 2.045E+04 C10H21O2-4 = C10OOH4-7 3.125E+09 0.00 1.865E+04 C10H21O2-4 = C10OOH4-8 3.906E+08 0.00 2.165E+04 C10H21O2-5 = C10OOH5-1 5.860E+08 0.00 2.515E+04 C10H21O2-5 = C10OOH5-2 3.125E+09 0.00 1.865E+04 C10H21O2-5 = C10OOH5-3 2.500E+10 0.00 2.045E+04 C10H21O2-5 = C10OOH5-4 2.000E+11 0.00 2.645E+04 C10H21O2-5 = C10OOH5-6 2.000E+11 0.00 2.645E+04 C10H21O2-5 = C10OOH5-7 2.500E+10 0.00 2.045E+04 C10H21O2-5 = C10OOH5-8 3.125E+09 0.00 1.865E+04 C10H21O2-5 = C10OOH5-9 3.906E+08 0.00 2.165E+04 ! C9H19O2-1 = C9OOH1-2 2.000E+11 0.00 2.645E+04 C9H19O2-1 = C9OOH1-3 2.500E+10 0.00 2.045E+04 C9H19O2-1 = C9OOH1-4 3.125E+09 0.00 1.865E+04 C9H19O2-1 = C9OOH1-5 3.906E+08 0.00 2.165E+04 C9H19O2-2 = C9OOH2-1 3.000E+11 0.00 2.900E+04 C9H19O2-2 = C9OOH2-3 2.000E+11 0.00 2.645E+04 C9H19O2-2 = C9OOH2-4 2.500E+10 0.00 2.045E+04 C9H19O2-2 = C9OOH2-5 3.125E+09 0.00 1.865E+04 C9H19O2-2 = C9OOH2-6 3.906E+08 0.00 2.165E+04 C9H19O2-3 = C9OOH3-1 3.750E+10 0.00 2.400E+04 C9H19O2-3 = C9OOH3-2 2.000E+11 0.00 2.645E+04 C9H19O2-3 = C9OOH3-4 2.000E+11 0.00 2.645E+04 C9H19O2-3 = C9OOH3-5 2.500E+10 0.00 2.045E+04 C9H19O2-3 = C9OOH3-6 3.125E+09 0.00 1.865E+04 C9H19O2-3 = C9OOH3-7 3.906E+08 0.00 2.165E+04 C9H19O2-4 = C9OOH4-1 4.680E+09 0.00 2.195E+04 C9H19O2-4 = C9OOH4-2 2.500E+10 0.00 2.045E+04 C9H19O2-4 = C9OOH4-3 2.000E+11 0.00 2.645E+04 C9H19O2-4 = C9OOH4-5 2.000E+11 0.00 2.645E+04 C9H19O2-4 = C9OOH4-6 2.500E+10 0.00 2.045E+04 C9H19O2-4 = C9OOH4-7 3.125E+09 0.00 1.865E+04 C9H19O2-4 = C9OOH4-8 3.906E+08 0.00 2.165E+04 C9H19O2-5 = C9OOH5-1 5.860E+08 0.00 2.515E+04 C9H19O2-5 = C9OOH5-2 3.125E+09 0.00 1.865E+04 C9H19O2-5 = C9OOH5-3 2.500E+10 0.00 2.045E+04 C9H19O2-5 = C9OOH5-4 2.000E+11 0.00 2.645E+04 ! C8H17O2-1 = C8OOH1-2 2.000E+11 0.00 2.645E+04 C8H17O2-1 = C8OOH1-3 2.500E+10 0.00 2.045E+04 C8H17O2-1 = C8OOH1-4 3.125E+09 0.00 1.865E+04 C8H17O2-1 = C8OOH1-5 3.906E+08 0.00 2.165E+04 C8H17O2-2 = C8OOH2-1 3.000E+11 0.00 2.900E+04 C8H17O2-2 = C8OOH2-3 2.000E+11 0.00 2.645E+04 C8H17O2-2 = C8OOH2-4 2.500E+10 0.00 2.045E+04 C8H17O2-2 = C8OOH2-5 3.125E+09 0.00 1.865E+04 C8H17O2-2 = C8OOH2-6 3.906E+08 0.00 2.165E+04 C8H17O2-3 = C8OOH3-1 3.750E+10 0.00 2.400E+04 C8H17O2-3 = C8OOH3-2 2.000E+11 0.00 2.645E+04 C8H17O2-3 = C8OOH3-4 2.000E+11 0.00 2.645E+04 C8H17O2-3 = C8OOH3-5 2.500E+10 0.00 2.045E+04 C8H17O2-3 = C8OOH3-6 3.125E+09 0.00 1.865E+04 C8H17O2-3 = C8OOH3-7 3.906E+08 0.00 2.165E+04 C8H17O2-4 = C8OOH4-1 4.680E+09 0.00 2.195E+04 C8H17O2-4 = C8OOH4-2 2.500E+10 0.00 2.045E+04 C8H17O2-4 = C8OOH4-3 2.000E+11 0.00 2.645E+04 C8H17O2-4 = C8OOH4-5 2.000E+11 0.00 2.645E+04 C8H17O2-4 = C8OOH4-6 2.500E+10 0.00 2.045E+04 C8H17O2-4 = C8OOH4-7 3.125E+09 0.00 1.865E+04 C8H17O2-4 = C8OOH4-8 5.860E+08 0.00 2.515E+04 ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! ! ! C12H25O2-1<=>C12H24-1+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-2<=>C12H24-1+HO2 5.920E+42 -9.43 4.153E+04 C12H25O2-2<=>C12H24-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-3<=>C12H24-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-3<=>C12H24-3+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-4<=>C12H24-3+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-4<=>C12H24-4+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-5<=>C12H24-4+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-5<=>C12H24-5+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-6<=>C12H24-5+HO2 4.308E+36 -7.50 3.951E+04 C12H25O2-6<=>C12H24-6+HO2 4.308E+36 -7.50 3.951E+04 ! ! C11H23O2-1<=>C11H22-1+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-2<=>C11H22-1+HO2 5.920E+42 -9.43 4.153E+04 C11H23O2-2<=>C11H22-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-3<=>C11H22-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-3<=>C11H22-3+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-4<=>C11H22-3+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-4<=>C11H22-4+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-5<=>C11H22-4+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-5<=>C11H22-5+HO2 4.308E+36 -7.50 3.951E+04 C11H23O2-6<=>C11H22-5+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! C10H21O2-1<=>C10H20-1+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-2<=>C10H20-1+HO2 5.920E+42 -9.43 4.153E+04 C10H21O2-2<=>C10H20-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-3<=>C10H20-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-3<=>C10H20-3+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-4<=>C10H20-3+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-4<=>C10H20-4+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-5<=>C10H20-4+HO2 4.308E+36 -7.50 3.951E+04 C10H21O2-5<=>C10H20-5+HO2 4.308E+36 -7.50 3.951E+04 ! ! C9H19O2-1<=>C9H18-1+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-2<=>C9H18-1+HO2 5.920E+42 -9.43 4.153E+04 C9H19O2-2<=>C9H18-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-3<=>C9H18-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-3<=>C9H18-3+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-4<=>C9H18-3+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-4<=>C9H18-4+HO2 4.308E+36 -7.50 3.951E+04 C9H19O2-5<=>C9H18-4+HO2 4.308E+36 -7.50 3.951E+04 ! ! C8H17O2-1<=>C8H16-1+HO2 4.308E+36 -7.50 3.951E+04 C8H17O2-2<=>C8H16-1+HO2 5.920E+42 -9.43 4.153E+04 C8H17O2-2<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17O2-3<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17O2-3<=>C8H16-3+HO2 4.308E+36 -7.50 3.951E+04 C8H17O2-4<=>C8H16-3+HO2 4.308E+36 -7.50 3.951E+04 C8H17O2-4<=>C8H16-4+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! ! CLASS 17 RO2 + HO2 = ROOH + O2 ! ! ! C12H25O2-1+HO2 = C12H25O2H-1 + O2 1.750E+10 0.00 -3.275E+03 C12H25O2-2+HO2 = C12H25O2H-2 + O2 1.750E+10 0.00 -3.275E+03 C12H25O2-3+HO2 = C12H25O2H-3 + O2 1.750E+10 0.00 -3.275E+03 C12H25O2-4+HO2 = C12H25O2H-4 + O2 1.750E+10 0.00 -3.275E+03 C12H25O2-5+HO2 = C12H25O2H-5 + O2 1.750E+10 0.00 -3.275E+03 C12H25O2-6+HO2 = C12H25O2H-6 + O2 1.750E+10 0.00 -3.275E+03 ! C11H23O2-1+HO2 = C11H23O2H-1 + O2 1.750E+10 0.00 -3.275E+03 C11H23O2-2+HO2 = C11H23O2H-2 + O2 1.750E+10 0.00 -3.275E+03 C11H23O2-3+HO2 = C11H23O2H-3 + O2 1.750E+10 0.00 -3.275E+03 C11H23O2-4+HO2 = C11H23O2H-4 + O2 1.750E+10 0.00 -3.275E+03 C11H23O2-5+HO2 = C11H23O2H-5 + O2 1.750E+10 0.00 -3.275E+03 C11H23O2-6+HO2 = C11H23O2H-6 + O2 1.750E+10 0.00 -3.275E+03 ! C10H21O2-1+HO2 = C10H21O2H-1 + O2 1.750E+10 0.00 -3.275E+03 C10H21O2-2+HO2 = C10H21O2H-2 + O2 1.750E+10 0.00 -3.275E+03 C10H21O2-3+HO2 = C10H21O2H-3 + O2 1.750E+10 0.00 -3.275E+03 C10H21O2-4+HO2 = C10H21O2H-4 + O2 1.750E+10 0.00 -3.275E+03 C10H21O2-5+HO2 = C10H21O2H-5 + O2 1.750E+10 0.00 -3.275E+03 ! C9H19O2-1+HO2 = C9H19O2H-1 + O2 1.750E+10 0.00 -3.275E+03 C9H19O2-2+HO2 = C9H19O2H-2 + O2 1.750E+10 0.00 -3.275E+03 C9H19O2-3+HO2 = C9H19O2H-3 + O2 1.750E+10 0.00 -3.275E+03 C9H19O2-4+HO2 = C9H19O2H-4 + O2 1.750E+10 0.00 -3.275E+03 C9H19O2-5+HO2 = C9H19O2H-5 + O2 1.750E+10 0.00 -3.275E+03 ! C8H17O2-1+HO2 = C8H17O2H-1 + O2 1.750E+10 0.00 -3.275E+03 C8H17O2-2+HO2 = C8H17O2H-2 + O2 1.750E+10 0.00 -3.275E+03 C8H17O2-3+HO2 = C8H17O2H-3 + O2 1.750E+10 0.00 -3.275E+03 C8H17O2-4+HO2 = C8H17O2H-4 + O2 1.750E+10 0.00 -3.275E+03 ! ! ! CLASS 18 RO2 + H2O2 = ROOH + HO2 ! ! C12H25O2-1+H2O2 = C12H25O2H-1+HO2 2.400E+12 0.00 1.000E+04 C12H25O2-2+H2O2 = C12H25O2H-2+HO2 2.400E+12 0.00 1.000E+04 C12H25O2-3+H2O2 = C12H25O2H-3+HO2 2.400E+12 0.00 1.000E+04 C12H25O2-4+H2O2 = C12H25O2H-4+HO2 2.400E+12 0.00 1.000E+04 C12H25O2-5+H2O2 = C12H25O2H-5+HO2 2.400E+12 0.00 1.000E+04 C12H25O2-6+H2O2 = C12H25O2H-6+HO2 2.400E+12 0.00 1.000E+04 ! C11H23O2-1+H2O2 = C11H23O2H-1+HO2 2.400E+12 0.00 1.000E+04 C11H23O2-2+H2O2 = C11H23O2H-2+HO2 2.400E+12 0.00 1.000E+04 C11H23O2-3+H2O2 = C11H23O2H-3+HO2 2.400E+12 0.00 1.000E+04 C11H23O2-4+H2O2 = C11H23O2H-4+HO2 2.400E+12 0.00 1.000E+04 C11H23O2-5+H2O2 = C11H23O2H-5+HO2 2.400E+12 0.00 1.000E+04 C11H23O2-6+H2O2 = C11H23O2H-6+HO2 2.400E+12 0.00 1.000E+04 ! C10H21O2-1+H2O2 = C10H21O2H-1+HO2 2.400E+12 0.00 1.000E+04 C10H21O2-2+H2O2 = C10H21O2H-2+HO2 2.400E+12 0.00 1.000E+04 C10H21O2-3+H2O2 = C10H21O2H-3+HO2 2.400E+12 0.00 1.000E+04 C10H21O2-4+H2O2 = C10H21O2H-4+HO2 2.400E+12 0.00 1.000E+04 C10H21O2-5+H2O2 = C10H21O2H-5+HO2 2.400E+12 0.00 1.000E+04 ! C9H19O2-1+H2O2 = C9H19O2H-1+HO2 2.400E+12 0.00 1.000E+04 C9H19O2-2+H2O2 = C9H19O2H-2+HO2 2.400E+12 0.00 1.000E+04 C9H19O2-3+H2O2 = C9H19O2H-3+HO2 2.400E+12 0.00 1.000E+04 C9H19O2-4+H2O2 = C9H19O2H-4+HO2 2.400E+12 0.00 1.000E+04 C9H19O2-5+H2O2 = C9H19O2H-5+HO2 2.400E+12 0.00 1.000E+04 ! C8H17O2-1+H2O2 = C8H17O2H-1+HO2 2.400E+12 0.00 1.000E+04 C8H17O2-2+H2O2 = C8H17O2H-2+HO2 2.400E+12 0.00 1.000E+04 C8H17O2-3+H2O2 = C8H17O2H-3+HO2 2.400E+12 0.00 1.000E+04 C8H17O2-4+H2O2 = C8H17O2H-4+HO2 2.400E+12 0.00 1.000E+04 ! ! ! ! CLASS 19 RO2 + CH3O2 = RO + CH3O + O2 ! ! C12H25O2-1+CH3O2 = C12H25O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-2+CH3O2 = C12H25O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-3+CH3O2 = C12H25O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-4+CH3O2 = C12H25O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-5+CH3O2 = C12H25O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-6+CH3O2 = C12H25O-6+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-1+CH3O2 = C11H23O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-2+CH3O2 = C11H23O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-3+CH3O2 = C11H23O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-4+CH3O2 = C11H23O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-5+CH3O2 = C11H23O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-6+CH3O2 = C11H23O-6+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-1+CH3O2 = C10H21O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-2+CH3O2 = C10H21O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-3+CH3O2 = C10H21O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-4+CH3O2 = C10H21O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-5+CH3O2 = C10H21O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-1+CH3O2 = C9H19O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-2+CH3O2 = C9H19O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-3+CH3O2 = C9H19O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-4+CH3O2 = C9H19O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-5+CH3O2 = C9H19O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H17O2-1+CH3O2 = C8H17O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-2+CH3O2 = C8H17O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-3+CH3O2 = C8H17O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-4+CH3O2 = C8H17O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! CLASS 20 ! ! RO2 + RO2 = RO + RO + O2 ! ! C12H25O2-1 + C12H25O2-1 = C12H25O-1 + C12H25O-1 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-1 + C12H25O2-2 = C12H25O-1 + C12H25O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-1 + C12H25O2-3 = C12H25O-1 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-1 + C12H25O2-4 = C12H25O-1 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-1 + C12H25O2-5 = C12H25O-1 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-1 + C12H25O2-6 = C12H25O-1 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C12H25O2-2 + C12H25O2-2 = C12H25O-2 + C12H25O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-2 + C12H25O2-3 = C12H25O-2 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-2 + C12H25O2-4 = C12H25O-2 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-2 + C12H25O2-5 = C12H25O-2 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-2 + C12H25O2-6 = C12H25O-2 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C12H25O2-3 + C12H25O2-3 = C12H25O-3 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-3 + C12H25O2-4 = C12H25O-3 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-3 + C12H25O2-5 = C12H25O-3 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-3 + C12H25O2-6 = C12H25O-3 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C12H25O2-4 + C12H25O2-4 = C12H25O-4 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-4 + C12H25O2-5 = C12H25O-4 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-4 + C12H25O2-6 = C12H25O-4 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C12H25O2-5 + C12H25O2-5 = C12H25O-5 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C12H25O2-5 + C12H25O2-6 = C12H25O-5 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C12H25O2-6 + C12H25O2-6 = C12H25O-6 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-1 + C11H23O2-1 = C11H23O-1 + C11H23O-1 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-1 + C11H23O2-2 = C11H23O-1 + C11H23O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-1 + C11H23O2-3 = C11H23O-1 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-1 + C11H23O2-4 = C11H23O-1 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-1 + C11H23O2-5 = C11H23O-1 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-1 + C11H23O2-6 = C11H23O-1 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-2 + C11H23O2-2 = C11H23O-2 + C11H23O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-2 + C11H23O2-3 = C11H23O-2 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-2 + C11H23O2-4 = C11H23O-2 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-2 + C11H23O2-5 = C11H23O-2 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-2 + C11H23O2-6 = C11H23O-2 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-3 + C11H23O2-3 = C11H23O-3 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-3 + C11H23O2-4 = C11H23O-3 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-3 + C11H23O2-5 = C11H23O-3 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-3 + C11H23O2-6 = C11H23O-3 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-4 + C11H23O2-4 = C11H23O-4 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-4 + C11H23O2-5 = C11H23O-4 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-4 + C11H23O2-6 = C11H23O-4 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-5 + C11H23O2-5 = C11H23O-5 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C11H23O2-5 + C11H23O2-6 = C11H23O-5 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C11H23O2-6 + C11H23O2-6 = C11H23O-6 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-1 + C10H21O2-1 = C10H21O-1 + C10H21O-1 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-1 + C10H21O2-2 = C10H21O-1 + C10H21O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-1 + C10H21O2-3 = C10H21O-1 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-1 + C10H21O2-4 = C10H21O-1 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-1 + C10H21O2-5 = C10H21O-1 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-2 + C10H21O2-2 = C10H21O-2 + C10H21O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-2 + C10H21O2-3 = C10H21O-2 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-2 + C10H21O2-4 = C10H21O-2 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-2 + C10H21O2-5 = C10H21O-2 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-3 + C10H21O2-3 = C10H21O-3 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-3 + C10H21O2-4 = C10H21O-3 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-3 + C10H21O2-5 = C10H21O-3 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-4 + C10H21O2-4 = C10H21O-4 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C10H21O2-4 + C10H21O2-5 = C10H21O-4 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C10H21O2-5 + C10H21O2-5 = C10H21O-5 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-1 + C9H19O2-1 = C9H19O-1 + C9H19O-1 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-1 + C9H19O2-2 = C9H19O-1 + C9H19O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-1 + C9H19O2-3 = C9H19O-1 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-1 + C9H19O2-4 = C9H19O-1 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-1 + C9H19O2-5 = C9H19O-1 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-2 + C9H19O2-2 = C9H19O-2 + C9H19O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-2 + C9H19O2-3 = C9H19O-2 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-2 + C9H19O2-4 = C9H19O-2 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-2 + C9H19O2-5 = C9H19O-2 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-3 + C9H19O2-3 = C9H19O-3 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-3 + C9H19O2-4 = C9H19O-3 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-3 + C9H19O2-5 = C9H19O-3 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-4 + C9H19O2-4 = C9H19O-4 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C9H19O2-4 + C9H19O2-5 = C9H19O-4 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C9H19O2-5 + C9H19O2-5 = C9H19O-5 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H17O2-1 + C8H17O2-1 = C8H17O-1 + C8H17O-1 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-1 + C8H17O2-2 = C8H17O-1 + C8H17O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-1 + C8H17O2-3 = C8H17O-1 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-1 + C8H17O2-4 = C8H17O-1 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H17O2-2 + C8H17O2-2 = C8H17O-2 + C8H17O-2 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-2 + C8H17O2-3 = C8H17O-2 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-2 + C8H17O2-4 = C8H17O-2 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H17O2-3 + C8H17O2-3 = C8H17O-3 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / C8H17O2-3 + C8H17O2-4 = C8H17O-3 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! C8H17O2-4 + C8H17O2-4 = C8H17O-4 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C12H25O2H-1 = C12H25O-1 + OH 1.000E+16 0.00 3.900E+04 C12H25O2H-2 = C12H25O-2 + OH 1.000E+16 0.00 3.900E+04 C12H25O2H-3 = C12H25O-3 + OH 1.000E+16 0.00 3.900E+04 C12H25O2H-4 = C12H25O-4 + OH 1.000E+16 0.00 3.900E+04 C12H25O2H-5 = C12H25O-5 + OH 1.000E+16 0.00 3.900E+04 C12H25O2H-6 = C12H25O-6 + OH 1.000E+16 0.00 3.900E+04 ! C11H23O2H-1 = C11H23O-1 + OH 1.000E+16 0.00 3.900E+04 C11H23O2H-2 = C11H23O-2 + OH 1.000E+16 0.00 3.900E+04 C11H23O2H-3 = C11H23O-3 + OH 1.000E+16 0.00 3.900E+04 C11H23O2H-4 = C11H23O-4 + OH 1.000E+16 0.00 3.900E+04 C11H23O2H-5 = C11H23O-5 + OH 1.000E+16 0.00 3.900E+04 C11H23O2H-6 = C11H23O-6 + OH 1.000E+16 0.00 3.900E+04 ! C10H21O2H-1 = C10H21O-1 + OH 1.000E+16 0.00 3.900E+04 C10H21O2H-2 = C10H21O-2 + OH 1.000E+16 0.00 3.900E+04 C10H21O2H-3 = C10H21O-3 + OH 1.000E+16 0.00 3.900E+04 C10H21O2H-4 = C10H21O-4 + OH 1.000E+16 0.00 3.900E+04 C10H21O2H-5 = C10H21O-5 + OH 1.000E+16 0.00 3.900E+04 ! C9H19O2H-1 = C9H19O-1 + OH 1.000E+16 0.00 3.900E+04 C9H19O2H-2 = C9H19O-2 + OH 1.000E+16 0.00 3.900E+04 C9H19O2H-3 = C9H19O-3 + OH 1.000E+16 0.00 3.900E+04 C9H19O2H-4 = C9H19O-4 + OH 1.000E+16 0.00 3.900E+04 C9H19O2H-5 = C9H19O-5 + OH 1.000E+16 0.00 3.900E+04 ! C8H17O2H-1 = C8H17O-1 + OH 1.000E+16 0.00 3.900E+04 C8H17O2H-2 = C8H17O-2 + OH 1.000E+16 0.00 3.900E+04 C8H17O2H-3 = C8H17O-3 + OH 1.000E+16 0.00 3.900E+04 C8H17O2H-4 = C8H17O-4 + OH 1.000E+16 0.00 3.900E+04 ! ! ! ! ! CLASS 22 ALKOXY RADICAL DECOMPOSITION ! ! ! CH2O+C11H23-1 = C12H25O-1 1.00E+11 0. 11900. CH3CHO+C10H21-1 = C12H25O-2 1.00E+11 0. 11900. C2H5CHO+C9H19-1 = C12H25O-3 1.00E+11 0. 11900. NC3H7CHO+C8H17-1 = C12H25O-4 1.00E+11 0. 11900. NC4H9CHO+C7H15-1 = C12H25O-5 1.00E+11 0. 11900. NC5H11CHO+C6H13-1 = C12H25O-6 1.00E+11 0. 11900. ! CH2O+C10H21-1 = C11H23O-1 1.00E+11 0. 11900. CH3CHO+C9H19-1 = C11H23O-2 1.00E+11 0. 11900. C2H5CHO+C8H17-1 = C11H23O-3 1.00E+11 0. 11900. NC3H7CHO+C7H15-1 = C11H23O-4 1.00E+11 0. 11900. NC4H9CHO+C6H13-1 = C11H23O-5 1.00E+11 0. 11900. NC5H11CHO+C5H11-1 = C11H23O-6 1.00E+11 0. 11900. ! CH2O+C9H19-1 = C10H21O-1 1.00E+11 0. 11900. CH3CHO+C8H17-1 = C10H21O-2 1.00E+11 0. 11900. C2H5CHO+C7H15-1 = C10H21O-3 1.00E+11 0. 11900. NC3H7CHO+C6H13-1 = C10H21O-4 1.00E+11 0. 11900. NC4H9CHO+C5H11-1 = C10H21O-5 1.00E+11 0. 11900. ! CH2O+C8H17-1 = C9H19O-1 1.00E+11 0. 11900. CH3CHO+C7H15-1 = C9H19O-2 1.00E+11 0. 11900. C2H5CHO+C6H13-1 = C9H19O-3 1.00E+11 0. 11900. NC3H7CHO+C5H11-1 = C9H19O-4 1.00E+11 0. 11900. NC4H9CHO+SC4H9 = C9H19O-5 1.00E+11 0. 11900. ! CH2O+C7H15-1 = C8H17O-1 1.00E+11 0. 11900. CH3CHO+C6H13-1 = C8H17O-2 1.00E+11 0. 11900. C2H5CHO+C5H11-1 = C8H17O-3 1.00E+11 0. 11900. NC3H7CHO+PC4H9 = C8H17O-4 1.00E+11 0. 11900. ! ! ! ! ! CLASS 23 ! ! QOOH = CYCLIC ETHER + OH ! ! ! C12OOH1-2 = C12O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-1 = C12O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-3 = C12O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-2 = C12O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-4 = C12O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-3 = C12O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-5 = C12O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-4 = C12O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-6 = C12O5-6 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-5 = C12O5-6 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-7 = C12O6-7 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C11OOH1-2 = C11O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-1 = C11O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-3 = C11O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-2 = C11O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-4 = C11O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-3 = C11O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-5 = C11O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-4 = C11O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-6 = C11O5-6 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH6-5 = C11O5-6 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C10OOH1-2 = C10O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-1 = C10O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-3 = C10O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-2 = C10O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-4 = C10O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-3 = C10O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-5 = C10O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-4 = C10O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-6 = C10O5-6 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C9OOH1-2 = C9O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-1 = C9O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-3 = C9O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-2 = C9O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-4 = C9O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-3 = C9O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-5 = C9O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH5-4 = C9O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C8OOH1-2 = C8O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-1 = C8O1-2 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-3 = C8O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-2 = C8O2-3 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-4 = C8O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-3 = C8O3-4 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-5 = C8O4-5 + OH 6.000E+11 0.00 2.200E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! C12OOH1-3 = C12O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-1 = C12O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-4 = C12O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-2 = C12O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-5 = C12O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-3 = C12O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-6 = C12O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-4 = C12O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-7 = C12O5-7 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-8 = C12O5-7 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C11OOH1-3 = C11O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-1 = C11O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-4 = C11O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-2 = C11O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-5 = C11O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-3 = C11O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-6 = C11O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH6-4 = C11O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-7 = C11O5-7 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C10OOH1-3 = C10O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-1 = C10O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-4 = C10O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-2 = C10O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-5 = C10O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-3 = C10O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-6 = C10O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C9OOH1-3 = C9O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-1 = C9O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-4 = C9O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-2 = C9O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-5 = C9O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH5-3 = C9O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-6 = C9O4-6 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! C8OOH1-3 = C8O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-1 = C8O1-3 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-4 = C8O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-2 = C8O2-4 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-5 = C8O3-5 + OH 7.500E+10 0.00 1.525E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! C12OOH1-4 = C12O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-1 = C12O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-5 = C12O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-2 = C12O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-6 = C12O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-3 = C12O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-7 = C12O4-7 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-9 = C12O4-7 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-8 = C12O5-8 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C11OOH1-4 = C11O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-1 = C11O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-5 = C11O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-2 = C11O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-6 = C11O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH6-3 = C11O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-7 = C11O4-7 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-8 = C11O4-7 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C10OOH1-4 = C10O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-1 = C10O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-5 = C10O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-2 = C10O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-6 = C10O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-8 = C10O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-7 = C10O4-7 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C9OOH1-4 = C9O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-1 = C9O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-5 = C9O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH5-2 = C9O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-6 = C9O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-7 = C9O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C8OOH1-4 = C8O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-1 = C8O1-4 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-5 = C8O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-7 = C8O2-5 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-6 = C8O3-6 + OH 9.375E+09 0.00 7.000E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! C12OOH1-5 = C12O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-1 = C12O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-6 = C12O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-2 = C12O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-7 = C12O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-10 = C12O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-8 = C12O4-8 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-9 = C12O4-8 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C11OOH1-5 = C11O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-1 = C11O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-6 = C11O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH6-2 = C11O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-7 = C11O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-9 = C11O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-8 = C11O4-8 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C10OOH1-5 = C10O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-1 = C10O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-6 = C10O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-9 = C10O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-7 = C10O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-8 = C10O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C9OOH1-5 = C9O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH5-1 = C9O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-6 = C9O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-8 = C9O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-7 = C9O3-7 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! C8OOH1-5 = C8O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-8 = C8O1-5 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-6 = C8O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-7 = C8O2-6 + OH 1.172E+09 0.00 1.800E+03 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! CLASS 24 ! ! QOOH = Q + HO2 ! ! C12H24-1+HO2 = C12OOH1-2 1.00E+11 0.00 1.19E+04 C12H24-1+HO2 = C12OOH2-1 1.00E+11 0.00 1.19E+04 C12H24-2+HO2 = C12OOH2-3 1.00E+11 0.00 1.19E+04 C12H24-2+HO2 = C12OOH3-2 1.00E+11 0.00 1.19E+04 C12H24-3+HO2 = C12OOH3-4 1.00E+11 0.00 1.19E+04 C12H24-3+HO2 = C12OOH4-3 1.00E+11 0.00 1.19E+04 C12H24-4+HO2 = C12OOH4-5 1.00E+11 0.00 1.19E+04 C12H24-4+HO2 = C12OOH5-4 1.00E+11 0.00 1.19E+04 C12H24-5+HO2 = C12OOH5-6 1.00E+11 0.00 1.19E+04 C12H24-5+HO2 = C12OOH6-5 1.00E+11 0.00 1.19E+04 C12H24-6+HO2 = C12OOH6-7 1.00E+11 0.00 1.19E+04 ! ! C11H22-1+HO2 = C11OOH1-2 1.00E+11 0.00 1.19E+04 C11H22-1+HO2 = C11OOH2-1 1.00E+11 0.00 1.19E+04 C11H22-2+HO2 = C11OOH2-3 1.00E+11 0.00 1.19E+04 C11H22-2+HO2 = C11OOH3-2 1.00E+11 0.00 1.19E+04 C11H22-3+HO2 = C11OOH3-4 1.00E+11 0.00 1.19E+04 C11H22-3+HO2 = C11OOH4-3 1.00E+11 0.00 1.19E+04 C11H22-4+HO2 = C11OOH4-5 1.00E+11 0.00 1.19E+04 C11H22-4+HO2 = C11OOH5-4 1.00E+11 0.00 1.19E+04 C11H22-5+HO2 = C11OOH5-6 1.00E+11 0.00 1.19E+04 C11H22-5+HO2 = C11OOH6-5 1.00E+11 0.00 1.19E+04 ! ! C10H20-1+HO2 = C10OOH1-2 1.00E+11 0.00 1.19E+04 C10H20-1+HO2 = C10OOH2-1 1.00E+11 0.00 1.19E+04 C10H20-2+HO2 = C10OOH2-3 1.00E+11 0.00 1.19E+04 C10H20-2+HO2 = C10OOH3-2 1.00E+11 0.00 1.19E+04 C10H20-3+HO2 = C10OOH3-4 1.00E+11 0.00 1.19E+04 C10H20-3+HO2 = C10OOH4-3 1.00E+11 0.00 1.19E+04 C10H20-4+HO2 = C10OOH4-5 1.00E+11 0.00 1.19E+04 C10H20-4+HO2 = C10OOH5-4 1.00E+11 0.00 1.19E+04 C10H20-5+HO2 = C10OOH5-6 1.00E+11 0.00 1.19E+04 ! ! C9H18-1+HO2 = C9OOH1-2 1.00E+11 0.00 1.19E+04 C9H18-1+HO2 = C9OOH2-1 1.00E+11 0.00 1.19E+04 C9H18-2+HO2 = C9OOH2-3 1.00E+11 0.00 1.19E+04 C9H18-2+HO2 = C9OOH3-2 1.00E+11 0.00 1.19E+04 C9H18-3+HO2 = C9OOH3-4 1.00E+11 0.00 1.19E+04 C9H18-3+HO2 = C9OOH4-3 1.00E+11 0.00 1.19E+04 C9H18-4+HO2 = C9OOH4-5 1.00E+11 0.00 1.19E+04 C9H18-4+HO2 = C9OOH5-4 1.00E+11 0.00 1.19E+04 ! ! C8H16-1+HO2 = C8OOH1-2 1.00E+11 0.00 1.19E+04 C8H16-1+HO2 = C8OOH2-1 1.00E+11 0.00 1.19E+04 C8H16-2+HO2 = C8OOH2-3 1.00E+11 0.00 1.19E+04 C8H16-2+HO2 = C8OOH3-2 1.00E+11 0.00 1.19E+04 C8H16-3+HO2 = C8OOH3-4 1.00E+11 0.00 1.19E+04 C8H16-3+HO2 = C8OOH4-3 1.00E+11 0.00 1.19E+04 C8H16-4+HO2 = C8OOH4-5 1.00E+11 0.00 1.19E+04 ! ! ! ! ! ! ! CLASS 25 BETA DECOMPOSITION OF ROOH ! ! C12OOH1-3 = OH+CH2O+C11H22-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH2-4 = OH+CH3CHO+C10H20-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-1 = OH+C2H4+NC9H19CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH3-5 = OH+C2H5CHO+C9H18-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-2 = OH+C3H6+NC8H17CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH4-6 = OH+NC3H7CHO+C8H16-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-3 = OH+C4H8-1+NC7H15CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH5-7 = OH+NC4H9CHO+C7H14-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-4 = OH+C5H10-1+NC6H13CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C12OOH6-8 = OH+NC5H11CHO+C6H12-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C11OOH1-3 = OH+CH2O+C10H20-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH2-4 = OH+CH3CHO+C9H18-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-1 = OH+C2H4+NC8H17CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH3-5 = OH+C2H5CHO+C8H16-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-2 = OH+C3H6+NC7H15CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH4-6 = OH+NC3H7CHO+C7H14-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-3 = OH+C4H8-1+NC6H13CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH5-7 = OH+NC4H9CHO+C6H12-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C11OOH6-4 = OH+C5H10-1+NC5H11CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C10OOH1-3 = OH+CH2O+C9H18-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH2-4 = OH+CH3CHO+C8H16-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-1 = OH+C2H4+NC7H15CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH3-5 = OH+C2H5CHO+C7H14-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-2 = OH+C3H6+NC6H13CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH4-6 = OH+NC3H7CHO+C6H12-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-3 = OH+C4H8-1+NC5H11CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C10OOH5-7 = OH+NC4H9CHO+C5H10-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C9OOH1-3 = OH+CH2O+C8H16-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH2-4 = OH+CH3CHO+C7H14-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-1 = OH+C2H4+NC6H13CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH3-5 = OH+C2H5CHO+C6H12-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-2 = OH+C3H6+NC5H11CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH4-6 = OH+NC3H7CHO+C5H10-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C9OOH5-3 = OH+C4H8-1+NC4H9CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C8OOH1-3 = OH+CH2O+C7H14-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH2-4 = OH+CH3CHO+C6H12-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-1 = OH+C2H4+NC5H11CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH3-5 = OH+C2H5CHO+C5H10-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-2 = OH+C3H6+NC4H9CHO 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / C8OOH4-6 = OH+NC3H7CHO+C4H8-1 1.00E+13 0.00 3.0E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! CLASS 26 QOOH + O2 = O2QOOH ! ! ADDITION OF SECOND O2 ! ! C12OOH1-2 + O2 = C12OOH1-2O2 7.54E+12 0 0.00E+00 C12OOH1-3 + O2 = C12OOH1-3O2 7.54E+12 0 0.00E+00 C12OOH1-4 + O2 = C12OOH1-4O2 7.54E+12 0 0.00E+00 C12OOH1-5 + O2 = C12OOH1-5O2 7.54E+12 0 0.00E+00 ! C12OOH2-1 + O2 = C12OOH2-1O2 4.52E+12 0 0.00E+00 C12OOH2-3 + O2 = C12OOH2-3O2 7.54E+12 0 0.00E+00 C12OOH2-4 + O2 = C12OOH2-4O2 7.54E+12 0 0.00E+00 C12OOH2-5 + O2 = C12OOH2-5O2 7.54E+12 0 0.00E+00 C12OOH2-6 + O2 = C12OOH2-6O2 7.54E+12 0 0.00E+00 ! C12OOH3-1 + O2 = C12OOH3-1O2 4.52E+12 0 0.00E+00 C12OOH3-2 + O2 = C12OOH3-2O2 7.54E+12 0 0.00E+00 C12OOH3-4 + O2 = C12OOH3-4O2 7.54E+12 0 0.00E+00 C12OOH3-5 + O2 = C12OOH3-5O2 7.54E+12 0 0.00E+00 C12OOH3-6 + O2 = C12OOH3-6O2 7.54E+12 0 0.00E+00 C12OOH3-7 + O2 = C12OOH3-7O2 7.54E+12 0 0.00E+00 ! C12OOH4-1 + O2 = C12OOH4-1O2 4.52E+12 0 0.00E+00 C12OOH4-2 + O2 = C12OOH4-2O2 7.54E+12 0 0.00E+00 C12OOH4-3 + O2 = C12OOH4-3O2 7.54E+12 0 0.00E+00 C12OOH4-5 + O2 = C12OOH4-5O2 7.54E+12 0 0.00E+00 C12OOH4-6 + O2 = C12OOH4-6O2 7.54E+12 0 0.00E+00 C12OOH4-7 + O2 = C12OOH4-7O2 7.54E+12 0 0.00E+00 C12OOH4-8 + O2 = C12OOH4-8O2 7.54E+12 0 0.00E+00 ! C12OOH5-1 + O2 = C12OOH5-1O2 4.52E+12 0 0.00E+00 C12OOH5-2 + O2 = C12OOH5-2O2 7.54E+12 0 0.00E+00 C12OOH5-3 + O2 = C12OOH5-3O2 7.54E+12 0 0.00E+00 C12OOH5-4 + O2 = C12OOH5-4O2 7.54E+12 0 0.00E+00 C12OOH5-6 + O2 = C12OOH5-6O2 7.54E+12 0 0.00E+00 C12OOH5-7 + O2 = C12OOH5-7O2 7.54E+12 0 0.00E+00 C12OOH5-8 + O2 = C12OOH5-8O2 7.54E+12 0 0.00E+00 C12OOH5-9 + O2 = C12OOH5-9O2 7.54E+12 0 0.00E+00 ! C12OOH6-2 + O2 = C12OOH6-2O2 7.54E+12 0 0.00E+00 C12OOH6-3 + O2 = C12OOH6-3O2 7.54E+12 0 0.00E+00 C12OOH6-4 + O2 = C12OOH6-4O2 7.54E+12 0 0.00E+00 C12OOH6-5 + O2 = C12OOH6-5O2 7.54E+12 0 0.00E+00 C12OOH6-7 + O2 = C12OOH6-7O2 7.54E+12 0 0.00E+00 C12OOH6-8 + O2 = C12OOH6-8O2 7.54E+12 0 0.00E+00 C12OOH6-9 + O2 = C12OOH6-9O2 7.54E+12 0 0.00E+00 C12OOH6-10 + O2 = C12OOH6-10O2 7.54E+12 0 0.00E+00 ! C11OOH1-2 + O2 = C11OOH1-2O2 7.54E+12 0 0.00E+00 C11OOH1-3 + O2 = C11OOH1-3O2 7.54E+12 0 0.00E+00 C11OOH1-4 + O2 = C11OOH1-4O2 7.54E+12 0 0.00E+00 C11OOH1-5 + O2 = C11OOH1-5O2 7.54E+12 0 0.00E+00 ! C11OOH2-1 + O2 = C11OOH2-1O2 4.52E+12 0 0.00E+00 C11OOH2-3 + O2 = C11OOH2-3O2 7.54E+12 0 0.00E+00 C11OOH2-4 + O2 = C11OOH2-4O2 7.54E+12 0 0.00E+00 C11OOH2-5 + O2 = C11OOH2-5O2 7.54E+12 0 0.00E+00 C11OOH2-6 + O2 = C11OOH2-6O2 7.54E+12 0 0.00E+00 ! C11OOH3-1 + O2 = C11OOH3-1O2 4.52E+12 0 0.00E+00 C11OOH3-2 + O2 = C11OOH3-2O2 7.54E+12 0 0.00E+00 C11OOH3-4 + O2 = C11OOH3-4O2 7.54E+12 0 0.00E+00 C11OOH3-5 + O2 = C11OOH3-5O2 7.54E+12 0 0.00E+00 C11OOH3-6 + O2 = C11OOH3-6O2 7.54E+12 0 0.00E+00 C11OOH3-7 + O2 = C11OOH3-7O2 7.54E+12 0 0.00E+00 ! C11OOH4-1 + O2 = C11OOH4-1O2 4.52E+12 0 0.00E+00 C11OOH4-2 + O2 = C11OOH4-2O2 7.54E+12 0 0.00E+00 C11OOH4-3 + O2 = C11OOH4-3O2 7.54E+12 0 0.00E+00 C11OOH4-5 + O2 = C11OOH4-5O2 7.54E+12 0 0.00E+00 C11OOH4-6 + O2 = C11OOH4-6O2 7.54E+12 0 0.00E+00 C11OOH4-7 + O2 = C11OOH4-7O2 7.54E+12 0 0.00E+00 C11OOH4-8 + O2 = C11OOH4-8O2 7.54E+12 0 0.00E+00 ! C11OOH5-1 + O2 = C11OOH5-1O2 4.52E+12 0 0.00E+00 C11OOH5-2 + O2 = C11OOH5-2O2 7.54E+12 0 0.00E+00 C11OOH5-3 + O2 = C11OOH5-3O2 7.54E+12 0 0.00E+00 C11OOH5-4 + O2 = C11OOH5-4O2 7.54E+12 0 0.00E+00 C11OOH5-6 + O2 = C11OOH5-6O2 7.54E+12 0 0.00E+00 C11OOH5-7 + O2 = C11OOH5-7O2 7.54E+12 0 0.00E+00 C11OOH5-8 + O2 = C11OOH5-8O2 7.54E+12 0 0.00E+00 C11OOH5-9 + O2 = C11OOH5-9O2 7.54E+12 0 0.00E+00 ! C11OOH6-2 + O2 = C11OOH6-2O2 7.54E+12 0 0.00E+00 C11OOH6-3 + O2 = C11OOH6-3O2 7.54E+12 0 0.00E+00 C11OOH6-4 + O2 = C11OOH6-4O2 7.54E+12 0 0.00E+00 C11OOH6-5 + O2 = C11OOH6-5O2 7.54E+12 0 0.00E+00 ! C10OOH1-2 + O2 = C10OOH1-2O2 7.54E+12 0 0.00E+00 C10OOH1-3 + O2 = C10OOH1-3O2 7.54E+12 0 0.00E+00 C10OOH1-4 + O2 = C10OOH1-4O2 7.54E+12 0 0.00E+00 C10OOH1-5 + O2 = C10OOH1-5O2 7.54E+12 0 0.00E+00 ! C10OOH2-1 + O2 = C10OOH2-1O2 4.52E+12 0 0.00E+00 C10OOH2-3 + O2 = C10OOH2-3O2 7.54E+12 0 0.00E+00 C10OOH2-4 + O2 = C10OOH2-4O2 7.54E+12 0 0.00E+00 C10OOH2-5 + O2 = C10OOH2-5O2 7.54E+12 0 0.00E+00 C10OOH2-6 + O2 = C10OOH2-6O2 7.54E+12 0 0.00E+00 ! C10OOH3-1 + O2 = C10OOH3-1O2 4.52E+12 0 0.00E+00 C10OOH3-2 + O2 = C10OOH3-2O2 7.54E+12 0 0.00E+00 C10OOH3-4 + O2 = C10OOH3-4O2 7.54E+12 0 0.00E+00 C10OOH3-5 + O2 = C10OOH3-5O2 7.54E+12 0 0.00E+00 C10OOH3-6 + O2 = C10OOH3-6O2 7.54E+12 0 0.00E+00 C10OOH3-7 + O2 = C10OOH3-7O2 7.54E+12 0 0.00E+00 ! C10OOH4-1 + O2 = C10OOH4-1O2 4.52E+12 0 0.00E+00 C10OOH4-2 + O2 = C10OOH4-2O2 7.54E+12 0 0.00E+00 C10OOH4-3 + O2 = C10OOH4-3O2 7.54E+12 0 0.00E+00 C10OOH4-5 + O2 = C10OOH4-5O2 7.54E+12 0 0.00E+00 C10OOH4-6 + O2 = C10OOH4-6O2 7.54E+12 0 0.00E+00 C10OOH4-7 + O2 = C10OOH4-7O2 7.54E+12 0 0.00E+00 C10OOH4-8 + O2 = C10OOH4-8O2 7.54E+12 0 0.00E+00 ! C10OOH5-1 + O2 = C10OOH5-1O2 4.52E+12 0 0.00E+00 C10OOH5-2 + O2 = C10OOH5-2O2 7.54E+12 0 0.00E+00 C10OOH5-3 + O2 = C10OOH5-3O2 7.54E+12 0 0.00E+00 C10OOH5-4 + O2 = C10OOH5-4O2 7.54E+12 0 0.00E+00 C10OOH5-6 + O2 = C10OOH5-6O2 7.54E+12 0 0.00E+00 C10OOH5-7 + O2 = C10OOH5-7O2 7.54E+12 0 0.00E+00 C10OOH5-8 + O2 = C10OOH5-8O2 7.54E+12 0 0.00E+00 C10OOH5-9 + O2 = C10OOH5-9O2 7.54E+12 0 0.00E+00 ! C9OOH1-2 + O2 = C9OOH1-2O2 7.54E+12 0 0.00E+00 C9OOH1-3 + O2 = C9OOH1-3O2 7.54E+12 0 0.00E+00 C9OOH1-4 + O2 = C9OOH1-4O2 7.54E+12 0 0.00E+00 C9OOH1-5 + O2 = C9OOH1-5O2 7.54E+12 0 0.00E+00 ! C9OOH2-1 + O2 = C9OOH2-1O2 4.52E+12 0 0.00E+00 C9OOH2-3 + O2 = C9OOH2-3O2 7.54E+12 0 0.00E+00 C9OOH2-4 + O2 = C9OOH2-4O2 7.54E+12 0 0.00E+00 C9OOH2-5 + O2 = C9OOH2-5O2 7.54E+12 0 0.00E+00 C9OOH2-6 + O2 = C9OOH2-6O2 7.54E+12 0 0.00E+00 ! C9OOH3-1 + O2 = C9OOH3-1O2 4.52E+12 0 0.00E+00 C9OOH3-2 + O2 = C9OOH3-2O2 7.54E+12 0 0.00E+00 C9OOH3-4 + O2 = C9OOH3-4O2 7.54E+12 0 0.00E+00 C9OOH3-5 + O2 = C9OOH3-5O2 7.54E+12 0 0.00E+00 C9OOH3-6 + O2 = C9OOH3-6O2 7.54E+12 0 0.00E+00 C9OOH3-7 + O2 = C9OOH3-7O2 7.54E+12 0 0.00E+00 ! C9OOH4-1 + O2 = C9OOH4-1O2 4.52E+12 0 0.00E+00 C9OOH4-2 + O2 = C9OOH4-2O2 7.54E+12 0 0.00E+00 C9OOH4-3 + O2 = C9OOH4-3O2 7.54E+12 0 0.00E+00 C9OOH4-5 + O2 = C9OOH4-5O2 7.54E+12 0 0.00E+00 C9OOH4-6 + O2 = C9OOH4-6O2 7.54E+12 0 0.00E+00 C9OOH4-7 + O2 = C9OOH4-7O2 7.54E+12 0 0.00E+00 C9OOH4-8 + O2 = C9OOH4-8O2 7.54E+12 0 0.00E+00 ! C9OOH5-1 + O2 = C9OOH5-1O2 4.52E+12 0 0.00E+00 C9OOH5-2 + O2 = C9OOH5-2O2 7.54E+12 0 0.00E+00 C9OOH5-3 + O2 = C9OOH5-3O2 7.54E+12 0 0.00E+00 C9OOH5-4 + O2 = C9OOH5-4O2 7.54E+12 0 0.00E+00 ! C8OOH1-2 + O2 = C8OOH1-2O2 7.54E+12 0 0.00E+00 C8OOH1-3 + O2 = C8OOH1-3O2 7.54E+12 0 0.00E+00 C8OOH1-4 + O2 = C8OOH1-4O2 7.54E+12 0 0.00E+00 C8OOH1-5 + O2 = C8OOH1-5O2 7.54E+12 0 0.00E+00 ! C8OOH2-1 + O2 = C8OOH2-1O2 4.52E+12 0 0.00E+00 C8OOH2-3 + O2 = C8OOH2-3O2 7.54E+12 0 0.00E+00 C8OOH2-4 + O2 = C8OOH2-4O2 7.54E+12 0 0.00E+00 C8OOH2-5 + O2 = C8OOH2-5O2 7.54E+12 0 0.00E+00 C8OOH2-6 + O2 = C8OOH2-6O2 7.54E+12 0 0.00E+00 ! C8OOH3-1 + O2 = C8OOH3-1O2 4.52E+12 0 0.00E+00 C8OOH3-2 + O2 = C8OOH3-2O2 7.54E+12 0 0.00E+00 C8OOH3-4 + O2 = C8OOH3-4O2 7.54E+12 0 0.00E+00 C8OOH3-5 + O2 = C8OOH3-5O2 7.54E+12 0 0.00E+00 C8OOH3-6 + O2 = C8OOH3-6O2 7.54E+12 0 0.00E+00 C8OOH3-7 + O2 = C8OOH3-7O2 7.54E+12 0 0.00E+00 ! C8OOH4-1 + O2 = C8OOH4-1O2 4.52E+12 0 0.00E+00 C8OOH4-2 + O2 = C8OOH4-2O2 7.54E+12 0 0.00E+00 C8OOH4-3 + O2 = C8OOH4-3O2 7.54E+12 0 0.00E+00 C8OOH4-5 + O2 = C8OOH4-5O2 7.54E+12 0 0.00E+00 C8OOH4-6 + O2 = C8OOH4-6O2 7.54E+12 0 0.00E+00 C8OOH4-7 + O2 = C8OOH4-7O2 7.54E+12 0 0.00E+00 C8OOH4-8 + O2 = C8OOH4-8O2 4.52E+12 0 0.00E+00 ! ! ! ! CLASS 27 PRODUCTION OF KETOHYDROPEROXIDES ! ! ALTERNATIVE PATHWAYS NOT YET INCLUDED ! ! C12OOH1-2O2 = C12KET1-2 + OH 2.000E+11 0.00 2.600E+04 C12OOH1-3O2 = C12KET1-3 + OH 2.500E+10 0.00 2.100E+04 C12OOH1-4O2 = C12KET1-4 + OH 3.125E+09 0.00 1.895E+04 C12OOH1-5O2 = C12KET1-5 + OH 3.906E+08 0.00 2.215E+04 ! C12OOH2-1O2 = C12KET2-1 + OH 1.000E+11 0.00 2.345E+04 C12OOH2-3O2 = C12KET2-3 + OH 1.000E+11 0.00 2.345E+04 C12OOH2-4O2 = C12KET2-4 + OH 1.250E+10 0.00 1.745E+04 C12OOH2-5O2 = C12KET2-5 + OH 1.563E+09 0.00 1.565E+04 C12OOH2-6O2 = C12KET2-6 + OH 1.953E+08 0.00 1.865E+04 ! C12OOH3-1O2 = C12KET3-1 + OH 1.250E+10 0.00 1.745E+04 C12OOH3-2O2 = C12KET3-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH3-4O2 = C12KET3-4 + OH 1.000E+11 0.00 2.345E+04 C12OOH3-5O2 = C12KET3-5 + OH 1.250E+10 0.00 1.745E+04 C12OOH3-6O2 = C12KET3-6 + OH 1.563E+09 0.00 1.565E+04 C12OOH3-7O2 = C12KET3-7 + OH 1.953E+08 0.00 1.865E+04 ! C12OOH4-1O2 = C12KET4-1 + OH 1.563E+09 0.00 1.565E+04 C12OOH4-2O2 = C12KET4-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH4-3O2 = C12KET4-3 + OH 1.000E+11 0.00 2.345E+04 C12OOH4-5O2 = C12KET4-5 + OH 1.000E+11 0.00 2.345E+04 C12OOH4-6O2 = C12KET4-6 + OH 1.250E+10 0.00 1.745E+04 C12OOH4-7O2 = C12KET4-7 + OH 1.563E+09 0.00 1.565E+04 C12OOH4-8O2 = C12KET4-8 + OH 1.953E+08 0.00 1.865E+04 ! C12OOH5-1O2 = C12KET5-1 + OH 1.953E+08 0.00 1.865E+04 C12OOH5-2O2 = C12KET5-2 + OH 1.563E+09 0.00 1.565E+04 C12OOH5-3O2 = C12KET5-3 + OH 1.250E+10 0.00 1.745E+04 C12OOH5-4O2 = C12KET5-4 + OH 1.000E+11 0.00 2.345E+04 C12OOH5-6O2 = C12KET5-6 + OH 1.000E+11 0.00 2.345E+04 C12OOH5-7O2 = C12KET5-7 + OH 1.250E+10 0.00 1.745E+04 C12OOH5-8O2 = C12KET5-8 + OH 1.563E+09 0.00 1.565E+04 C12OOH5-9O2 = C12KET5-9 + OH 1.953E+08 0.00 1.865E+04 ! C12OOH6-2O2 = C12KET6-2 + OH 1.953E+08 0.00 1.865E+04 C12OOH6-3O2 = C12KET6-3 + OH 1.563E+09 0.00 1.565E+04 C12OOH6-4O2 = C12KET6-4 + OH 1.250E+10 0.00 1.745E+04 C12OOH6-5O2 = C12KET6-5 + OH 1.000E+11 0.00 2.345E+04 C12OOH6-7O2 = C12KET6-7 + OH 1.000E+11 0.00 2.345E+04 C12OOH6-8O2 = C12KET6-8 + OH 1.250E+10 0.00 1.745E+04 C12OOH6-9O2 = C12KET6-9 + OH 1.563E+09 0.00 1.565E+04 C12OOH6-10O2 = C12KET6-10 + OH 1.953E+08 0.00 1.865E+04 ! C11OOH1-2O2 = C11KET1-2 + OH 2.000E+11 0.00 2.600E+04 C11OOH1-3O2 = C11KET1-3 + OH 2.500E+10 0.00 2.100E+04 C11OOH1-4O2 = C11KET1-4 + OH 3.125E+09 0.00 1.895E+04 C11OOH1-5O2 = C11KET1-5 + OH 3.906E+08 0.00 2.215E+04 ! C11OOH2-1O2 = C11KET2-1 + OH 1.000E+11 0.00 2.345E+04 C11OOH2-3O2 = C11KET2-3 + OH 1.000E+11 0.00 2.345E+04 C11OOH2-4O2 = C11KET2-4 + OH 1.250E+10 0.00 1.745E+04 C11OOH2-5O2 = C11KET2-5 + OH 1.563E+09 0.00 1.565E+04 C11OOH2-6O2 = C11KET2-6 + OH 1.953E+08 0.00 1.865E+04 ! C11OOH3-1O2 = C11KET3-1 + OH 1.250E+10 0.00 1.745E+04 C11OOH3-2O2 = C11KET3-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH3-4O2 = C11KET3-4 + OH 1.000E+11 0.00 2.345E+04 C11OOH3-5O2 = C11KET3-5 + OH 1.250E+10 0.00 1.745E+04 C11OOH3-6O2 = C11KET3-6 + OH 1.563E+09 0.00 1.565E+04 C11OOH3-7O2 = C11KET3-7 + OH 1.953E+08 0.00 1.865E+04 ! C11OOH4-1O2 = C11KET4-1 + OH 1.563E+09 0.00 1.565E+04 C11OOH4-2O2 = C11KET4-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH4-3O2 = C11KET4-3 + OH 1.000E+11 0.00 2.345E+04 C11OOH4-5O2 = C11KET4-5 + OH 1.000E+11 0.00 2.345E+04 C11OOH4-6O2 = C11KET4-6 + OH 1.250E+10 0.00 1.745E+04 C11OOH4-7O2 = C11KET4-7 + OH 1.563E+09 0.00 1.565E+04 C11OOH4-8O2 = C11KET4-8 + OH 1.953E+08 0.00 1.865E+04 ! C11OOH5-1O2 = C11KET5-1 + OH 1.953E+08 0.00 1.865E+04 C11OOH5-2O2 = C11KET5-2 + OH 1.563E+09 0.00 1.565E+04 C11OOH5-3O2 = C11KET5-3 + OH 1.250E+10 0.00 1.745E+04 C11OOH5-4O2 = C11KET5-4 + OH 1.000E+11 0.00 2.345E+04 C11OOH5-6O2 = C11KET5-6 + OH 1.000E+11 0.00 2.345E+04 C11OOH5-7O2 = C11KET5-7 + OH 1.250E+10 0.00 1.745E+04 C11OOH5-8O2 = C11KET5-8 + OH 1.563E+09 0.00 1.565E+04 C11OOH5-9O2 = C11KET5-9 + OH 1.953E+08 0.00 1.865E+04 ! C11OOH6-2O2 = C11KET6-2 + OH 1.953E+08 0.00 1.865E+04 C11OOH6-3O2 = C11KET6-3 + OH 1.563E+09 0.00 1.565E+04 C11OOH6-4O2 = C11KET6-4 + OH 1.250E+10 0.00 1.745E+04 C11OOH6-5O2 = C11KET6-5 + OH 1.000E+11 0.00 2.345E+04 ! C10OOH1-2O2 = C10KET1-2 + OH 2.000E+11 0.00 2.600E+04 C10OOH1-3O2 = C10KET1-3 + OH 2.500E+10 0.00 2.100E+04 C10OOH1-4O2 = C10KET1-4 + OH 3.125E+09 0.00 1.895E+04 C10OOH1-5O2 = C10KET1-5 + OH 3.906E+08 0.00 2.215E+04 ! C10OOH2-1O2 = C10KET2-1 + OH 1.000E+11 0.00 2.345E+04 C10OOH2-3O2 = C10KET2-3 + OH 1.000E+11 0.00 2.345E+04 C10OOH2-4O2 = C10KET2-4 + OH 1.250E+10 0.00 1.745E+04 C10OOH2-5O2 = C10KET2-5 + OH 1.563E+09 0.00 1.565E+04 C10OOH2-6O2 = C10KET2-6 + OH 1.953E+08 0.00 1.865E+04 ! C10OOH3-1O2 = C10KET3-1 + OH 1.250E+10 0.00 1.745E+04 C10OOH3-2O2 = C10KET3-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH3-4O2 = C10KET3-4 + OH 1.000E+11 0.00 2.345E+04 C10OOH3-5O2 = C10KET3-5 + OH 1.250E+10 0.00 1.745E+04 C10OOH3-6O2 = C10KET3-6 + OH 1.563E+09 0.00 1.565E+04 C10OOH3-7O2 = C10KET3-7 + OH 1.953E+08 0.00 1.865E+04 ! C10OOH4-1O2 = C10KET4-1 + OH 1.563E+09 0.00 1.565E+04 C10OOH4-2O2 = C10KET4-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH4-3O2 = C10KET4-3 + OH 1.000E+11 0.00 2.345E+04 C10OOH4-5O2 = C10KET4-5 + OH 1.000E+11 0.00 2.345E+04 C10OOH4-6O2 = C10KET4-6 + OH 1.250E+10 0.00 1.745E+04 C10OOH4-7O2 = C10KET4-7 + OH 1.563E+09 0.00 1.565E+04 C10OOH4-8O2 = C10KET4-8 + OH 1.953E+08 0.00 1.865E+04 ! C10OOH5-1O2 = C10KET5-1 + OH 1.953E+08 0.00 1.865E+04 C10OOH5-2O2 = C10KET5-2 + OH 1.563E+09 0.00 1.565E+04 C10OOH5-3O2 = C10KET5-3 + OH 1.250E+10 0.00 1.745E+04 C10OOH5-4O2 = C10KET5-4 + OH 1.000E+11 0.00 2.345E+04 C10OOH5-6O2 = C10KET5-6 + OH 1.000E+11 0.00 2.345E+04 C10OOH5-7O2 = C10KET5-7 + OH 1.250E+10 0.00 1.745E+04 C10OOH5-8O2 = C10KET5-8 + OH 1.563E+09 0.00 1.565E+04 C10OOH5-9O2 = C10KET5-9 + OH 1.953E+08 0.00 1.865E+04 ! C9OOH1-2O2 = C9KET1-2 + OH 2.000E+11 0.00 2.600E+04 C9OOH1-3O2 = C9KET1-3 + OH 2.500E+10 0.00 2.100E+04 C9OOH1-4O2 = C9KET1-4 + OH 3.125E+09 0.00 1.895E+04 C9OOH1-5O2 = C9KET1-5 + OH 3.906E+08 0.00 2.215E+04 ! C9OOH2-1O2 = C9KET2-1 + OH 1.000E+11 0.00 2.345E+04 C9OOH2-3O2 = C9KET2-3 + OH 1.000E+11 0.00 2.345E+04 C9OOH2-4O2 = C9KET2-4 + OH 1.250E+10 0.00 1.745E+04 C9OOH2-5O2 = C9KET2-5 + OH 1.563E+09 0.00 1.565E+04 C9OOH2-6O2 = C9KET2-6 + OH 1.953E+08 0.00 1.865E+04 ! C9OOH3-1O2 = C9KET3-1 + OH 1.250E+10 0.00 1.745E+04 C9OOH3-2O2 = C9KET3-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH3-4O2 = C9KET3-4 + OH 1.000E+11 0.00 2.345E+04 C9OOH3-5O2 = C9KET3-5 + OH 1.250E+10 0.00 1.745E+04 C9OOH3-6O2 = C9KET3-6 + OH 1.563E+09 0.00 1.565E+04 C9OOH3-7O2 = C9KET3-7 + OH 1.953E+08 0.00 1.865E+04 ! C9OOH4-1O2 = C9KET4-1 + OH 1.563E+09 0.00 1.565E+04 C9OOH4-2O2 = C9KET4-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH4-3O2 = C9KET4-3 + OH 1.000E+11 0.00 2.345E+04 C9OOH4-5O2 = C9KET4-5 + OH 1.000E+11 0.00 2.345E+04 C9OOH4-6O2 = C9KET4-6 + OH 1.250E+10 0.00 1.745E+04 C9OOH4-7O2 = C9KET4-7 + OH 1.563E+09 0.00 1.565E+04 C9OOH4-8O2 = C9KET4-8 + OH 1.953E+08 0.00 1.865E+04 ! C9OOH5-1O2 = C9KET5-1 + OH 1.953E+08 0.00 1.865E+04 C9OOH5-2O2 = C9KET5-2 + OH 1.563E+09 0.00 1.565E+04 C9OOH5-3O2 = C9KET5-3 + OH 1.250E+10 0.00 1.745E+04 C9OOH5-4O2 = C9KET5-4 + OH 1.000E+11 0.00 2.345E+04 ! C8OOH1-2O2 = C8KET1-2 + OH 2.000E+11 0.00 2.600E+04 C8OOH1-3O2 = C8KET1-3 + OH 2.500E+10 0.00 2.100E+04 C8OOH1-4O2 = C8KET1-4 + OH 3.125E+09 0.00 1.895E+04 C8OOH1-5O2 = C8KET1-5 + OH 3.906E+08 0.00 2.215E+04 ! C8OOH2-1O2 = C8KET2-1 + OH 1.000E+11 0.00 2.345E+04 C8OOH2-3O2 = C8KET2-3 + OH 1.000E+11 0.00 2.345E+04 C8OOH2-4O2 = C8KET2-4 + OH 1.250E+10 0.00 1.745E+04 C8OOH2-5O2 = C8KET2-5 + OH 1.563E+09 0.00 1.565E+04 C8OOH2-6O2 = C8KET2-6 + OH 1.953E+08 0.00 1.865E+04 ! C8OOH3-1O2 = C8KET3-1 + OH 1.250E+10 0.00 1.745E+04 C8OOH3-2O2 = C8KET3-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH3-4O2 = C8KET3-4 + OH 1.000E+11 0.00 2.345E+04 C8OOH3-5O2 = C8KET3-5 + OH 1.250E+10 0.00 1.745E+04 C8OOH3-6O2 = C8KET3-6 + OH 1.563E+09 0.00 1.565E+04 C8OOH3-7O2 = C8KET3-7 + OH 1.953E+08 0.00 1.865E+04 ! C8OOH4-1O2 = C8KET4-1 + OH 1.563E+09 0.00 1.565E+04 C8OOH4-2O2 = C8KET4-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH4-3O2 = C8KET4-3 + OH 1.000E+11 0.00 2.345E+04 C8OOH4-5O2 = C8KET4-5 + OH 1.000E+11 0.00 2.345E+04 C8OOH4-6O2 = C8KET4-6 + OH 1.250E+10 0.00 1.745E+04 C8OOH4-7O2 = C8KET4-7 + OH 1.563E+09 0.00 1.565E+04 C8OOH4-8O2 = C8KET4-8 + OH 1.953E+08 0.00 1.865E+04 ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMP. ! ! ! C12KET1-2 = OH+HCO+NC10H21CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET1-3 = OH+CH2CHO+NC9H19CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET1-4 = OH+CH2CH2CHO+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET1-5 = OH+C3H6CHO-1+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET2-1 = OH+CH2O+NC10H21CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET2-3 = OH+CH3CO+NC9H19CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET2-4 = OH+CH3COCH2+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET2-5 = OH+CH2CH2COCH3+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET2-6 = OH+C3H6COCH3-1+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-1 = OH+CH2O+C9H19COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-2 = OH+CH3CHO+NC9H19CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-4 = OH+C2H5CO+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-5 = OH+C2H5COCH2+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-6 = OH+C2H5COC2H4P+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET3-7 = OH+C3H6COC2H5-1+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-1 = OH+CH2O+C8COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-2 = OH+CH3CHO+C8H17COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-3 = OH+C2H5CHO+NC8H17CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-5 = OH+NC3H7CO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-6 = OH+NC3H7COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-7 = OH+NC3H7COC2H4P+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET4-8 = OH+C3COC3H6P+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-1 = OH+CH2O+C7COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-2 = OH+CH3CHO+C7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-3 = OH+C2H5CHO+C7H15COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-4 = OH+NC3H7CHO+NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-6 = OH+NC4H9CO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-7 = OH+NC4H9COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-8 = OH+C4COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET5-9 = OH+C4COC3H6P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-2 = OH+CH3CHO+C6COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-3 = OH+C2H5CHO+C6COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-4 = OH+NC3H7CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-5 = OH+NC4H9CHO+NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-7 = OH+NC5H11CO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-8 = OH+C5H11COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-9 = OH+C5COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C12KET6-10 = OH+C5COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C11KET1-2 = OH+HCO+NC9H19CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET1-3 = OH+CH2CHO+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET1-4 = OH+CH2CH2CHO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET1-5 = OH+C3H6CHO-1+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET2-1 = OH+CH2O+NC9H19CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET2-3 = OH+CH3CO+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET2-4 = OH+CH3COCH2+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET2-5 = OH+CH2CH2COCH3+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET2-6 = OH+C3H6COCH3-1+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-1 = OH+CH2O+C8H17COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-2 = OH+CH3CHO+NC8H17CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-4 = OH+C2H5CO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-5 = OH+C2H5COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-6 = OH+C2H5COC2H4P+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET3-7 = OH+C3H6COC2H5-1+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-1 = OH+CH2O+C7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-2 = OH+CH3CHO+C7H15COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-3 = OH+C2H5CHO+NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-5 = OH+NC3H7CO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-6 = OH+NC3H7COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-7 = OH+NC3H7COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET4-8 = OH+C3COC3H6P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-1 = OH+CH2O+C6COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-2 = OH+CH3CHO+C6COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-3 = OH+C2H5CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-4 = OH+NC3H7CHO+NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-6 = OH+NC4H9CO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-7 = OH+NC4H9COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-8 = OH+C4COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET5-9 = OH+C4COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET6-2 = OH+CH3CHO+C5COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET6-3 = OH+C2H5CHO+C5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET6-4 = OH+NC3H7CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C11KET6-5 = OH+NC4H9CHO+NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C10KET1-2 = OH+HCO+NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET1-3 = OH+CH2CHO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET1-4 = OH+CH2CH2CHO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET1-5 = OH+C3H6CHO-1+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET2-1 = OH+CH2O+NC8H17CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET2-3 = OH+CH3CO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET2-4 = OH+CH3COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET2-5 = OH+CH2CH2COCH3+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET2-6 = OH+C3H6COCH3-1+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-1 = OH+CH2O+C7H15COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-2 = OH+CH3CHO+NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-4 = OH+C2H5CO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-5 = OH+C2H5COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-6 = OH+C2H5COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET3-7 = OH+C3H6COC2H5-1+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-1 = OH+CH2O+C6COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-2 = OH+CH3CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-3 = OH+C2H5CHO+NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-5 = OH+NC3H7CO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-6 = OH+NC3H7COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-7 = OH+NC3H7COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET4-8 = OH+C3COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-1 = OH+CH2O+C5COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-2 = OH+CH3CHO+C5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-3 = OH+C2H5CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-4 = OH+NC3H7CHO+NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-6 = OH+NC4H9CO+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-7 = OH+NC4H9COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-8 = OH+C4COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C10KET5-9 = OH+C4COC3H6P+CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C9KET1-2 = OH+HCO+NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET1-3 = OH+CH2CHO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET1-4 = OH+CH2CH2CHO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET1-5 = OH+C3H6CHO-1+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET2-1 = OH+CH2O+NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET2-3 = OH+CH3CO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET2-4 = OH+CH3COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET2-5 = OH+CH2CH2COCH3+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET2-6 = OH+C3H6COCH3-1+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-1 = OH+CH2O+C6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-2 = OH+CH3CHO+NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-4 = OH+C2H5CO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-5 = OH+C2H5COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-6 = OH+C2H5COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET3-7 = OH+C3H6COC2H5-1+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-1 = OH+CH2O+C5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-2 = OH+CH3CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-3 = OH+C2H5CHO+NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-5 = OH+NC3H7CO+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-6 = OH+NC3H7COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-7 = OH+NC3H7COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET4-8 = OH+C3COC3H6P+CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET5-1 = OH+CH2O+C4COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET5-2 = OH+CH3CHO+C4COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET5-3 = OH+C2H5CHO+NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C9KET5-4 = OH+NC3H7CHO+NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / ! C8KET1-2 = OH+HCO+NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET1-3 = OH+CH2CHO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET1-4 = OH+CH2CH2CHO+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET1-5 = OH+C3H6CHO-1+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET2-1 = OH+CH2O+NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET2-3 = OH+CH3CO+NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET2-4 = OH+CH3COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET2-5 = OH+CH2CH2COCH3+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET2-6 = OH+C3H6COCH3-1+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-1 = OH+CH2O+C5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-2 = OH+CH3CHO+NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-4 = OH+C2H5CO+NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-5 = OH+C2H5COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-6 = OH+C2H5COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET3-7 = OH+C3H6COC2H5-1+CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-1 = OH+CH2O+C4COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-2 = OH+CH3CHO+NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-3 = OH+C2H5CHO+NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-5 = OH+NC3H7CO+NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-6 = OH+NC3H7COCH2+C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-7 = OH+NC3H7COC2H4P+CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / C8KET4-8 = OH+C3COC3H6P+CH2O 1.000E+16 0.00 3.900E+04 REV / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! CLASS 29 REACTIONS OF CYCLIC ETHERS ! C12O1-2 + OH = C2H3CHO+C9H19-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-2 + OH = CH2CO+C10H21-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-3 + OH = C11H22-1+HCO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-3 + OH = C2H4+NC9H19CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-4 + OH = CH2CHO+C10H20-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-4 + OH = C2H4+C8H17COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-5 + OH = CH2CH2CHO+C9H18-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O1-5 + OH = C2H4+C7COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-3 + OH = C2H3COCH3+C8H17-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-3 + OH = CH3CHCO+C9H19-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-4 + OH = CH3CO+C10H20-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-4 + OH = C3H6+NC8H17CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-5 + OH = CH3COCH2+C9H18-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-5 + OH = C3H6+C7H15COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-6 + OH = CH2CH2COCH3+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O2-6 + OH = C3H6+C6COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-4 + OH = C2H5COC2H3+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-4 + OH = C2H5CHCO+C8H17-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-5 + OH = C2H5CO+C9H18-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-5 + OH = C4H8-1+NC7H15CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-6 + OH = C2H5COCH2+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-6 + OH = C4H8-1+C6H13COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-7 + OH = C2H5COC2H4P+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O3-7 + OH = C4H8-1+C5COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-5 + OH = NC3H7COC2H3+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-5 + OH = NC3H7CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-6 + OH = NC3H7CO+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-6 + OH = C5H10-1+NC6H13CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-7 + OH = NC3H7COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-7 + OH = C5H10-1+C5H11COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-8 + OH = NC3H7COC2H4P+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O4-8 + OH = C5H10-1+C4COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O5-6 + OH = NC4H9COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O5-6 + OH = NC4H9CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O5-7 + OH = NC4H9CO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O5-7 + OH = C6H12-1+NC5H11CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O5-8 + OH = NC4H9COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O6-7 + OH = C5H11COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C12O6-7 + OH = C5H11CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / ! C12O1-2+HO2 = C2H3CHO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-2+HO2 = CH2CO+C10H21-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-3+HO2 = C11H22-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-3+HO2 = C2H4+NC9H19CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-4+HO2 = CH2CHO+C10H20-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-4+HO2 = C2H4+C8H17COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-5+HO2 = CH2CH2CHO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O1-5+HO2 = C2H4+C7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-3+HO2 = C2H3COCH3+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-3+HO2 = CH3CHCO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-4+HO2 = CH3CO+C10H20-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-4+HO2 = C3H6+NC8H17CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-5+HO2 = CH3COCH2+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-5+HO2 = C3H6+C7H15COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-6+HO2 = CH2CH2COCH3+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O2-6+HO2 = C3H6+C6COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-4+HO2 = C2H5COC2H3+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-4+HO2 = C2H5CHCO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-5+HO2 = C2H5CO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-5+HO2 = C4H8-1+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-6+HO2 = C2H5COCH2+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-6+HO2 = C4H8-1+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-7+HO2 = C2H5COC2H4P+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O3-7+HO2 = C4H8-1+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-5+HO2 = NC3H7COC2H3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-5+HO2 = NC3H7CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-6+HO2 = NC3H7CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-6+HO2 = C5H10-1+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-7+HO2 = NC3H7COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-7+HO2 = C5H10-1+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-8+HO2 = NC3H7COC2H4P+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O4-8+HO2 = C5H10-1+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O5-6+HO2 = NC4H9COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O5-6+HO2 = NC4H9CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O5-7+HO2 = NC4H9CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O5-7+HO2 = C6H12-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O5-8+HO2 = NC4H9COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O6-7+HO2 = C5H11COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C12O6-7+HO2 = C5H11CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / ! C11O1-2 + OH = C2H3CHO+C8H17-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-2 + OH = CH2CO+C9H19-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-3 + OH = C10H20-1+HCO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-3 + OH = C2H4+NC8H17CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-4 + OH = CH2CHO+C9H18-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-4 + OH = C2H4+C7H15COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-5 + OH = CH2CH2CHO+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O1-5 + OH = C2H4+C6COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-3 + OH = C2H3COCH3+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-3 + OH = CH3CHCO+C8H17-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-4 + OH = CH3CO+C9H18-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-4 + OH = C3H6+NC7H15CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-5 + OH = CH3COCH2+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-5 + OH = C3H6+C6H13COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-6 + OH = CH2CH2COCH3+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O2-6 + OH = C3H6+C5COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-4 + OH = C2H5COC2H3+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-4 + OH = C2H5CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-5 + OH = C2H5CO+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-5 + OH = C4H8-1+NC6H13CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-6 + OH = C2H5COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-6 + OH = C4H8-1+C5H11COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-7 + OH = C2H5COC2H4P+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O3-7 + OH = C4H8-1+C4COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-5 + OH = NC3H7COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-5 + OH = NC3H7CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-6 + OH = NC3H7CO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-6 + OH = C5H10-1+NC5H11CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-7 + OH = NC3H7COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-7 + OH = C5H10-1+NC4H9COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O4-8 + OH = NC3H7COC2H4P+C5H10-1+H2O 5.00E+12 0.00 0.00 REV / 0.00 0.00 0.00 / !C11O4-8 + OH = C5H10-1+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00 ! REV / 0.00 0.00 0.00 / C11O5-6 + OH = NC4H9COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O5-6 + OH = NC4H9CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C11O5-7 + OH = NC4H9CO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / ! C11O1-2+HO2 = C2H3CHO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-2+HO2 = CH2CO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-3+HO2 = C10H20-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-3+HO2 = C2H4+NC8H17CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-4+HO2 = CH2CHO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-4+HO2 = C2H4+C7H15COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-5+HO2 = CH2CH2CHO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O1-5+HO2 = C2H4+C6COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-3+HO2 = C2H3COCH3+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-3+HO2 = CH3CHCO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-4+HO2 = CH3CO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-4+HO2 = C3H6+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-5+HO2 = CH3COCH2+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-5+HO2 = C3H6+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-6+HO2 = CH2CH2COCH3+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O2-6+HO2 = C3H6+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-4+HO2 = C2H5COC2H3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-4+HO2 = C2H5CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-5+HO2 = C2H5CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-5+HO2 = C4H8-1+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-6+HO2 = C2H5COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-6+HO2 = C4H8-1+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-7+HO2 = C2H5COC2H4P+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O3-7+HO2 = C4H8-1+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-5+HO2 = NC3H7COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-5+HO2 = NC3H7CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-6+HO2 = NC3H7CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-6+HO2 = C5H10-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-7+HO2 = NC3H7COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-7+HO2 = C5H10-1+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O4-8+HO2 = NC3H7COC2H4P+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / !C11O4-8+HO2 = C5H10-1+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 ! REV / 0.00 0.00 0.00 / C11O5-6+HO2 = NC4H9COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O5-6+HO2 = NC4H9CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C11O5-7+HO2 = NC4H9CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / ! C10O1-2 + OH = C2H3CHO+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-2 + OH = CH2CO+C8H17-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-3 + OH = C9H18-1+HCO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-3 + OH = C2H4+NC7H15CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-4 + OH = CH2CHO+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-4 + OH = C2H4+C6H13COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-5 + OH = CH2CH2CHO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O1-5 + OH = C2H4+C5COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-3 + OH = C2H3COCH3+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-3 + OH = CH3CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-4 + OH = CH3CO+C8H16-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-4 + OH = C3H6+NC6H13CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-5 + OH = CH3COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-5 + OH = C3H6+C5H11COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-6 + OH = CH2CH2COCH3+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O2-6 + OH = C3H6+C4COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-4 + OH = C2H5COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-4 + OH = C2H5CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-5 + OH = C2H5CO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-5 + OH = C4H8-1+NC5H11CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-6 + OH = C2H5COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-6 + OH = C4H8-1+NC4H9COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-7 + OH = C2H5COC2H4P+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O3-7 + OH = C4H8-1+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O4-5 + OH = NC3H7COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O4-5 + OH = NC3H7CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O4-6 + OH = NC3H7CO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O4-6 + OH = C5H10-1+NC4H9CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O4-7 + OH = NC3H7COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O5-6 + OH = NC4H9COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C10O5-6 + OH = NC4H9CHCO+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / ! C10O1-2+HO2 = C2H3CHO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-2+HO2 = CH2CO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-3+HO2 = C9H18-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-3+HO2 = C2H4+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-4+HO2 = CH2CHO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-4+HO2 = C2H4+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-5+HO2 = CH2CH2CHO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O1-5+HO2 = C2H4+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-3+HO2 = C2H3COCH3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-3+HO2 = CH3CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-4+HO2 = CH3CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-4+HO2 = C3H6+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-5+HO2 = CH3COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-5+HO2 = C3H6+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-6+HO2 = CH2CH2COCH3+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O2-6+HO2 = C3H6+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-4+HO2 = C2H5COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-4+HO2 = C2H5CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-5+HO2 = C2H5CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-5+HO2 = C4H8-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-6+HO2 = C2H5COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-6+HO2 = C4H8-1+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-7+HO2 = C2H5COC2H4P+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O3-7+HO2 = C4H8-1+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O4-5+HO2 = NC3H7COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O4-5+HO2 = NC3H7CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O4-6+HO2 = NC3H7CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O4-6+HO2 = C5H10-1+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O4-7+HO2 = NC3H7COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O5-6+HO2 = NC4H9COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C10O5-6+HO2 = NC4H9CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / ! C9O1-2 + OH = C2H3CHO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-2 + OH = CH2CO+C7H15-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-3 + OH = C8H16-1+HCO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-3 + OH = C2H4+NC6H13CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-4 + OH = CH2CHO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-4 + OH = C2H4+C5H11COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-5 + OH = CH2CH2CHO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O1-5 + OH = C2H4+C4COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-3 + OH = C2H3COCH3+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-3 + OH = CH3CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-4 + OH = CH3CO+C7H14-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-4 + OH = C3H6+NC5H11CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-5 + OH = CH3COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-5 + OH = C3H6+NC4H9COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-6 + OH = CH2CH2COCH3+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O2-6 + OH = C3H6+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-4 + OH = C2H5COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-4 + OH = C2H5CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-5 + OH = C2H5CO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-5 + OH = C4H8-1+NC4H9CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-6 + OH = C2H5COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-6 + OH = C4H8-1+NC3H7COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O3-7 + OH = C2H5COC2H4P+C4H8-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O4-5 + OH = NC3H7COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O4-5 + OH = NC3H7CHCO+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C9O4-6 + OH = NC3H7CO+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / ! C9O1-2+HO2 = C2H3CHO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-2+HO2 = CH2CO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-3+HO2 = C8H16-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-3+HO2 = C2H4+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-4+HO2 = CH2CHO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-4+HO2 = C2H4+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-5+HO2 = CH2CH2CHO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O1-5+HO2 = C2H4+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-3+HO2 = C2H3COCH3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-3+HO2 = CH3CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-4+HO2 = CH3CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-4+HO2 = C3H6+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-5+HO2 = CH3COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-5+HO2 = C3H6+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-6+HO2 = CH2CH2COCH3+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O2-6+HO2 = C3H6+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-4+HO2 = C2H5COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-4+HO2 = C2H5CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-5+HO2 = C2H5CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-5+HO2 = C4H8-1+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-6+HO2 = C2H5COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-6+HO2 = C4H8-1+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O3-7+HO2 = C2H5COC2H4P+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O4-5+HO2 = NC3H7COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O4-5+HO2 = NC3H7CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C9O4-6+HO2 = NC3H7CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / ! C8O1-2 + OH = C2H3CHO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-2 + OH = CH2CO+C6H13-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-3 + OH = C7H14-1+HCO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-3 + OH = C2H4+NC5H11CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-4 + OH = CH2CHO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-4 + OH = C2H4+NC4H9COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-5 + OH = CH2CH2CHO+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O1-5 + OH = C2H4+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-3 + OH = C2H3COCH3+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-3 + OH = CH3CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-4 + OH = CH3CO+C6H12-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-4 + OH = C3H6+NC4H9CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-5 + OH = CH3COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-5 + OH = C3H6+NC3H7COCH2+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-6 + OH = CH2CH2COCH3+C4H8-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O2-6 + OH = C3H6+C2H5COC2H4P+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O3-4 + OH = C2H5COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O3-4 + OH = C2H5CHCO+PC4H9+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O3-5 + OH = C2H5CO+C5H10-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O3-5 + OH = C4H8-1+NC3H7CO+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O3-6 + OH = C2H5COCH2+C4H8-1+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O4-5 + OH = NC3H7COC2H3+C2H5+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / C8O4-5 + OH = NC3H7CHCO+NC3H7+H2O 2.50E+12 0.00 0.00 REV / 0.00 0.00 0.00 / ! C8O1-2+HO2 = C2H3CHO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-2+HO2 = CH2CO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-3+HO2 = C7H14-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-3+HO2 = C2H4+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-4+HO2 = CH2CHO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-4+HO2 = C2H4+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-5+HO2 = CH2CH2CHO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O1-5+HO2 = C2H4+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-3+HO2 = C2H3COCH3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-3+HO2 = CH3CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-4+HO2 = CH3CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-4+HO2 = C3H6+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-5+HO2 = CH3COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-5+HO2 = C3H6+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-6+HO2 = CH2CH2COCH3+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O2-6+HO2 = C3H6+C2H5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O3-4+HO2 = C2H5COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O3-4+HO2 = C2H5CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O3-5+HO2 = C2H5CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O3-5+HO2 = C4H8-1+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O3-6+HO2 = C2H5COCH2+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O4-5+HO2 = NC3H7COC2H3+C2H5+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / C8O4-5+HO2 = NC3H7CHCO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04 REV / 0.00 0.00 0.00 / ! ! ! ! CLASS 30 MISCELLANEOUS REACTIONS ! ! LARGE ALDEHYDES ! SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5 ! ! ! C5H11COC2H3+H = H2+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3+O = OH+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / C5H11COC2H3+H = H2+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3+O = OH+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! C6H13COC2H3+H = H2+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3+O = OH+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / C6H13COC2H3+H = H2+C5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3 + OH = H2O+C5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3+O = OH+C5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13COC2H3+HO2 = H2O2+C5H11CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! C5H11CHCO+H = H2+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11CHCO+O = OH+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11CHCO + OH = H2O+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11CHCO+HO2 = H2O2+C5H10-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / C5H11CHCO+H = C6H13-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11CHCO+O = C6H12-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C5H11CHCO + OH = C6H13-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! C6H13CHCO+H = H2+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13CHCO+O = OH+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13CHCO + OH = H2O+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13CHCO+HO2 = H2O2+C6H12-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / C6H13CHCO+H = C7H15-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13CHCO+O = C7H14-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C6H13CHCO + OH = C7H15-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! C7H15CHCO+H = H2+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C7H15CHCO+O = OH+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C7H15CHCO + OH = H2O+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C7H15CHCO+HO2 = H2O2+C7H14-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / C7H15CHCO+H = C8H17-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C7H15CHCO+O = C8H16-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / C7H15CHCO + OH = C8H17-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! DECOMPOSITION OF LARGE RADICALS ! C12H25COCH2 = C12H25-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C11H23COCH2 = C11H23-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C10H21COCH2 = C10H21-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C9H19COCH2 = C9H19-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C8H17COCH2 = C8H17-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C7H15COCH2 = C7H15-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C6H13COCH2 = C6H13-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / C5H11COCH2 = C5H11-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / ! C12COC2H4P = NC12H25CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C11COC2H4P = NC11H23CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C10COC2H4P = NC10H21CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C9COC2H4P = NC9H19CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C8COC2H4P = NC8H17CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C7COC2H4P = NC7H15CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C6COC2H4P = NC6H13CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C5COC2H4P = NC5H11CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C4COC2H4P = NC4H9CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! C11COC3H6P = C11H23COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C10COC3H6P = C10H21COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C9COC3H6P = C9H19COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C8COC3H6P = C8H17COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C7COC3H6P = C7H15COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C6COC3H6P = C6H13COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C5COC3H6P = C5H11COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C4COC3H6P = NC4H9COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / C3COC3H6P = NC3H7COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! ! ! ! !!!!!!!!!!C8-C20 2-METHYLALKANE MECHANISM WITH LOW TEMPERATURE AND HIGH TEMP CHEMISTRY!!!!!!!!! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C7H15-2A + H = C7H16-2 1.000E+14 0.00 0.000 C7H15-2B + H = C7H16-2 1.000E+14 0.00 0.000 C7H15-2C + H = C7H16-2 1.000E+14 0.00 0.000 C7H15-2D + H = C7H16-2 1.000E+14 0.00 0.000 C7H15-2E + H = C7H16-2 1.000E+14 0.00 0.000 C7H15-2F + H = C7H16-2 1.000E+14 0.00 0.000 ! CH3 + C6H13-2 = C7H16-2 1.000E+13 0.00 0.000 IC3H7 + PC4H9 = C7H16-2 8.000E+12 0.00 0.000 IC4H9 + NC3H7 = C7H16-2 8.000E+12 0.00 0.000 DC5H11 + C2H5 = C7H16-2 8.000E+12 0.00 0.000 EC6H13 + CH3 = C7H16-2 1.000E+13 0.00 0.000 ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C8H17-2A + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2B + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2C + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2D + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2E + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2F + H = C8H18-2 1.000E+14 0.00 0.000 C8H17-2G + H = C8H18-2 1.000E+14 0.00 0.000 ! CH3 + C7H15-2 = C8H18-2 1.000E+13 0.00 0.000 IC3H7 + C5H11-1 = C8H18-2 8.000E+12 0.00 0.000 IC4H9 + PC4H9 = C8H18-2 8.000E+12 0.00 0.000 DC5H11 + NC3H7 = C8H18-2 8.000E+12 0.00 0.000 EC6H13 + C2H5 = C8H18-2 8.000E+12 0.00 0.000 C7H15-2F + CH3 = C8H18-2 1.000E+13 0.00 0.000 ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C9H19-2A + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2B + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2C + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2D + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2E + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2F + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2G + H = C9H20-2 1.000E+14 0.00 0.000 C9H19-2H + H = C9H20-2 1.000E+14 0.00 0.000 ! CH3 + C8H17-2 = C9H20-2 1.000E+13 0.00 0.000 IC3H7 + C6H13-1 = C9H20-2 8.000E+12 0.00 0.000 IC4H9 + C5H11-1 = C9H20-2 8.000E+12 0.00 0.000 DC5H11 + PC4H9 = C9H20-2 8.000E+12 0.00 0.000 EC6H13 + NC3H7 = C9H20-2 8.000E+12 0.00 0.000 C7H15-2F + C2H5 = C9H20-2 8.000E+12 0.00 0.000 C8H17-2G + CH3 = C9H20-2 1.000E+13 0.00 0.000 ! ! ! ! 2-METHYLNONANE ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C10H21-2A + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2B + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2C + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2D + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2E + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2F + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2G + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2H + H = C10H22-2 1.000E+14 0.00 0.000 C10H21-2I + H = C10H22-2 1.000E+14 0.00 0.000 ! CH3 + C9H19-2 = C10H22-2 1.000E+13 0.00 0.000 IC3H7 + C7H15-1 = C10H22-2 8.000E+12 0.00 0.000 IC4H9 + C6H13-1 = C10H22-2 8.000E+12 0.00 0.000 DC5H11 + C5H11-1 = C10H22-2 8.000E+12 0.00 0.000 EC6H13 + PC4H9 = C10H22-2 8.000E+12 0.00 0.000 C7H15-2F + NC3H7 = C10H22-2 8.000E+12 0.00 0.000 C8H17-2G + C2H5 = C10H22-2 8.000E+12 0.00 0.000 C9H19-2H + CH3 = C10H22-2 1.000E+13 0.00 0.000 ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C11H23-2A + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2B + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2C + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2D + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2E + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2F + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2G + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2H + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2I + H = C11H24-2 1.000E+14 0.00 0.000 C11H23-2J + H = C11H24-2 1.000E+14 0.00 0.000 ! CH3 + C10H21-2 = C11H24-2 1.000E+13 0.00 0.000 IC3H7 + C8H17-1 = C11H24-2 8.000E+12 0.00 0.000 IC4H9 + C7H15-1 = C11H24-2 8.000E+12 0.00 0.000 DC5H11 + C6H13-1 = C11H24-2 8.000E+12 0.00 0.000 EC6H13 + C5H11-1 = C11H24-2 8.000E+12 0.00 0.000 C7H15-2F + PC4H9 = C11H24-2 8.000E+12 0.00 0.000 C8H17-2G + NC3H7 = C11H24-2 8.000E+12 0.00 0.000 C9H19-2H + C2H5 = C11H24-2 8.000E+12 0.00 0.000 C10H21-2I + CH3 = C11H24-2 1.000E+13 0.00 0.000 ! ! 2-METHYLUNDECANE ! ! ! ! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION ! C12H25-2A + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2B + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2C + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2D + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2E + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2F + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2G + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2H + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2I + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2J + H = C12H26-2 1.000E+14 0.00 0.000 C12H25-2K + H = C12H26-2 1.000E+14 0.00 0.000 ! CH3 + C11H23-2 = C12H26-2 1.000E+13 0.00 0.000 IC3H7 + C9H19-1 = C12H26-2 8.000E+12 0.00 0.000 IC4H9 + C8H17-1 = C12H26-2 8.000E+12 0.00 0.000 DC5H11 + C7H15-1 = C12H26-2 8.000E+12 0.00 0.000 EC6H13 + C6H13-1 = C12H26-2 8.000E+12 0.00 0.000 C7H15-2F + C5H11-1 = C12H26-2 8.000E+12 0.00 0.000 C8H17-2G + PC4H9 = C12H26-2 8.000E+12 0.00 0.000 C9H19-2H + NC3H7 = C12H26-2 8.000E+12 0.00 0.000 C10H21-2I + C2H5 = C12H26-2 8.000E+12 0.00 0.000 C11H23-2J + CH3 = C12H26-2 1.000E+13 0.00 0.000 ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C7H16-2 + H = C7H15-2A + H2 1.330E+06 2.54 6.756E+03 C7H16-2 + H = C7H15-2B + H2 6.020E+05 2.40 2.583E+03 C7H16-2 + H = C7H15-2C + H2 1.300E+06 2.40 4.471E+03 C7H16-2 + H = C7H15-2D + H2 1.300E+06 2.40 4.471E+03 C7H16-2 + H = C7H15-2E + H2 1.300E+06 2.40 4.471E+03 C7H16-2 + H = C7H15-2F + H2 6.660E+05 2.54 6.756E+03 ! ! C7H16-2 + O = C7H15-2A + OH 1.960E+06 2.43 4.750E+03 C7H16-2 + O = C7H15-2B + OH 3.830E+05 2.41 1.140E+03 C7H16-2 + O = C7H15-2C + OH 5.520E+05 2.45 2.830E+03 C7H16-2 + O = C7H15-2D + OH 5.520E+05 2.45 2.830E+03 C7H16-2 + O = C7H15-2E + OH 5.520E+05 2.45 2.830E+03 C7H16-2 + O = C7H15-2F + OH 9.810E+05 2.43 4.750E+03 ! ! C7H16-2 + OH = C7H15-2A + H2O 1.056E+10 0.97 1.590E+03 C7H16-2 + OH = C7H15-2B + H2O 5.730E+10 0.51 6.300E+01 C7H16-2 + OH = C7H15-2C + H2O 4.680E+07 1.61 -3.500E+01 C7H16-2 + OH = C7H15-2D + H2O 4.680E+07 1.61 -3.500E+01 C7H16-2 + OH = C7H15-2E + H2O 4.680E+07 1.61 -3.500E+01 C7H16-2 + OH = C7H15-2F + H2O 5.280E+09 0.97 1.590E+03 ! ! C7H16-2 + CH3 = C7H15-2A + CH4 9.040E-01 3.65 7.154E+03 C7H16-2 + CH3 = C7H15-2B + CH4 6.010E-10 6.36 8.930E+02 C7H16-2 + CH3 = C7H15-2C + CH4 1.510E+00 3.46 5.481E+03 C7H16-2 + CH3 = C7H15-2D + CH4 1.510E+00 3.46 5.481E+03 C7H16-2 + CH3 = C7H15-2E + CH4 1.510E+00 3.46 5.481E+03 C7H16-2 + CH3 = C7H15-2F + CH4 4.520E-01 3.65 7.154E+03 ! ! C7H16-2 + HO2 = C7H15-2A + H2O2 4.080E+01 3.59 1.716E+04 C7H16-2 + HO2 = C7H15-2B + H2O2 6.500E+02 3.01 1.209E+04 C7H16-2 + HO2 = C7H15-2C + H2O2 6.320E+01 3.37 1.372E+04 C7H16-2 + HO2 = C7H15-2D + H2O2 6.320E+01 3.37 1.372E+04 C7H16-2 + HO2 = C7H15-2E + H2O2 6.320E+01 3.37 1.372E+04 C7H16-2 + HO2 = C7H15-2F + H2O2 2.040E+01 3.59 1.716E+04 ! ! C7H16-2 + CH3O = C7H15-2A + CH3OH 4.338E+11 0.00 6.548E+03 C7H16-2 + CH3O = C7H15-2B + CH3OH 2.290E+10 0.00 2.873E+03 C7H16-2 + CH3O = C7H15-2C + CH3OH 1.450E+11 0.00 4.571E+03 C7H16-2 + CH3O = C7H15-2D + CH3OH 1.450E+11 0.00 4.571E+03 C7H16-2 + CH3O = C7H15-2E + CH3OH 1.450E+11 0.00 4.571E+03 C7H16-2 + CH3O = C7H15-2F + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C7H16-2 + O2 = C7H15-2A + HO2 6.000E+13 0.00 5.229E+04 C7H16-2 + O2 = C7H15-2B + HO2 1.000E+13 0.00 4.820E+04 C7H16-2 + O2 = C7H15-2C + HO2 2.000E+13 0.00 4.964E+04 C7H16-2 + O2 = C7H15-2D + HO2 2.000E+13 0.00 4.964E+04 C7H16-2 + O2 = C7H15-2E + HO2 2.000E+13 0.00 4.964E+04 C7H16-2 + O2 = C7H15-2F + HO2 3.000E+13 0.00 5.280E+04 ! ! C7H16-2 + C2H5 = C7H15-2A + C2H6 1.000E+11 0.00 1.340E+04 C7H16-2 + C2H5 = C7H15-2B + C2H6 1.000E+11 0.00 7.900E+03 C7H16-2 + C2H5 = C7H15-2C + C2H6 5.000E+10 0.00 1.040E+04 C7H16-2 + C2H5 = C7H15-2D + C2H6 5.000E+10 0.00 1.040E+04 C7H16-2 + C2H5 = C7H15-2E + C2H6 5.000E+10 0.00 1.040E+04 C7H16-2 + C2H5 = C7H15-2F + C2H6 5.000E+10 0.00 1.340E+04 ! ! C7H16-2 + C2H3 = C7H15-2A + C2H4 1.000E+12 0.00 1.800E+04 C7H16-2 + C2H3 = C7H15-2B + C2H4 2.000E+11 0.00 1.430E+04 C7H16-2 + C2H3 = C7H15-2C + C2H4 4.000E+11 0.00 1.680E+04 C7H16-2 + C2H3 = C7H15-2D + C2H4 4.000E+11 0.00 1.680E+04 C7H16-2 + C2H3 = C7H15-2E + C2H4 4.000E+11 0.00 1.680E+04 C7H16-2 + C2H3 = C7H15-2F + C2H4 5.000E+11 0.00 1.800E+04 ! ! C7H16-2 + CH3O2 = C7H15-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C7H16-2 + CH3O2 = C7H15-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C7H16-2 + CH3O2 = C7H15-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C7H16-2 + CH3O2 = C7H15-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C7H16-2 + CH3O2 = C7H15-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C7H16-2 + CH3O2 = C7H15-2F + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C7H16-2 + C7H15-2A = C7H15-2B + C7H16-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C7H16-2 + C7H15-2A = C7H15-2C + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C7H16-2 + C7H15-2A = C7H15-2D + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C7H16-2 + C7H15-2A = C7H15-2E + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C7H16-2 + C7H15-2A = C7H15-2F + C7H16-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C7H16-2 + C7H15-2B = C7H15-2C + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C7H16-2 + C7H15-2B = C7H15-2D + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C7H16-2 + C7H15-2B = C7H15-2E + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C7H16-2 + C7H15-2B = C7H15-2F + C7H16-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C7H16-2 + C7H15-2C = C7H15-2D + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C7H16-2 + C7H15-2C = C7H15-2E + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C7H16-2 + C7H15-2C = C7H15-2F + C7H16-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C7H16-2 + C7H15-2D = C7H15-2E + C7H16-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C7H16-2 + C7H15-2D = C7H15-2F + C7H16-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C7H16-2 + C7H15-2E = C7H15-2F + C7H16-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2A + C7H15OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2A + C7H15OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2A + C7H15OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2A + C7H15OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2A + C7H15OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2A + C7H15OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2B + C7H15OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2B + C7H15OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2B + C7H15OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2B + C7H15OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2B + C7H15OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2B + C7H15OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2C + C7H15OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2C + C7H15OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2C + C7H15OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2C + C7H15OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2C + C7H15OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2C + C7H15OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2D + C7H15OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2D + C7H15OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2D + C7H15OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2D + C7H15OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2D + C7H15OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2D + C7H15OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2E + C7H15OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2E + C7H15OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2E + C7H15OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2E + C7H15OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2E + C7H15OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2E + C7H15OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C7H16-2 + C7H15OO-1-2 = C7H15-2F + C7H15OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-2-2 = C7H15-2F + C7H15OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-3-2 = C7H15-2F + C7H15OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-4-2 = C7H15-2F + C7H15OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-5-2 = C7H15-2F + C7H15OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C7H16-2 + C7H15OO-6-2 = C7H15-2F + C7H15OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C8H18-2 + H = C8H17-2A + H2 1.330E+06 2.54 6.756E+03 C8H18-2 + H = C8H17-2B + H2 6.020E+05 2.40 2.583E+03 C8H18-2 + H = C8H17-2C + H2 1.300E+06 2.40 4.471E+03 C8H18-2 + H = C8H17-2D + H2 1.300E+06 2.40 4.471E+03 C8H18-2 + H = C8H17-2E + H2 1.300E+06 2.40 4.471E+03 C8H18-2 + H = C8H17-2F + H2 1.300E+06 2.40 4.471E+03 C8H18-2 + H = C8H17-2G + H2 6.660E+05 2.54 6.756E+03 ! ! C8H18-2 + O = C8H17-2A + OH 1.960E+06 2.43 4.750E+03 C8H18-2 + O = C8H17-2B + OH 3.830E+05 2.41 1.140E+03 C8H18-2 + O = C8H17-2C + OH 5.520E+05 2.45 2.830E+03 C8H18-2 + O = C8H17-2D + OH 5.520E+05 2.45 2.830E+03 C8H18-2 + O = C8H17-2E + OH 5.520E+05 2.45 2.830E+03 C8H18-2 + O = C8H17-2F + OH 5.520E+05 2.45 2.830E+03 C8H18-2 + O = C8H17-2G + OH 9.810E+05 2.43 4.750E+03 ! ! C8H18-2 + OH = C8H17-2A + H2O 1.056E+10 0.97 1.590E+03 C8H18-2 + OH = C8H17-2B + H2O 5.730E+10 0.51 6.300E+01 C8H18-2 + OH = C8H17-2C + H2O 4.680E+07 1.61 -3.500E+01 C8H18-2 + OH = C8H17-2D + H2O 4.680E+07 1.61 -3.500E+01 C8H18-2 + OH = C8H17-2E + H2O 4.680E+07 1.61 -3.500E+01 C8H18-2 + OH = C8H17-2F + H2O 4.680E+07 1.61 -3.500E+01 C8H18-2 + OH = C8H17-2G + H2O 5.280E+09 0.97 1.590E+03 ! ! C8H18-2 + CH3 = C8H17-2A + CH4 9.040E-01 3.65 7.154E+03 C8H18-2 + CH3 = C8H17-2B + CH4 6.010E-10 6.36 8.930E+02 C8H18-2 + CH3 = C8H17-2C + CH4 1.510E+00 3.46 5.481E+03 C8H18-2 + CH3 = C8H17-2D + CH4 1.510E+00 3.46 5.481E+03 C8H18-2 + CH3 = C8H17-2E + CH4 1.510E+00 3.46 5.481E+03 C8H18-2 + CH3 = C8H17-2F + CH4 1.510E+00 3.46 5.481E+03 C8H18-2 + CH3 = C8H17-2G + CH4 4.520E-01 3.65 7.154E+03 ! ! C8H18-2 + HO2 = C8H17-2A + H2O2 4.080E+01 3.59 1.716E+04 C8H18-2 + HO2 = C8H17-2B + H2O2 6.500E+02 3.01 1.209E+04 C8H18-2 + HO2 = C8H17-2C + H2O2 6.320E+01 3.37 1.372E+04 C8H18-2 + HO2 = C8H17-2D + H2O2 6.320E+01 3.37 1.372E+04 C8H18-2 + HO2 = C8H17-2E + H2O2 6.320E+01 3.37 1.372E+04 C8H18-2 + HO2 = C8H17-2F + H2O2 6.320E+01 3.37 1.372E+04 C8H18-2 + HO2 = C8H17-2G + H2O2 2.040E+01 3.59 1.716E+04 ! ! C8H18-2 + CH3O = C8H17-2A + CH3OH 4.338E+11 0.00 6.548E+03 C8H18-2 + CH3O = C8H17-2B + CH3OH 2.290E+10 0.00 2.873E+03 C8H18-2 + CH3O = C8H17-2C + CH3OH 1.450E+11 0.00 4.571E+03 C8H18-2 + CH3O = C8H17-2D + CH3OH 1.450E+11 0.00 4.571E+03 C8H18-2 + CH3O = C8H17-2E + CH3OH 1.450E+11 0.00 4.571E+03 C8H18-2 + CH3O = C8H17-2F + CH3OH 1.450E+11 0.00 4.571E+03 C8H18-2 + CH3O = C8H17-2G + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C8H18-2 + O2 = C8H17-2A + HO2 6.000E+13 0.00 5.229E+04 C8H18-2 + O2 = C8H17-2B + HO2 1.000E+13 0.00 4.820E+04 C8H18-2 + O2 = C8H17-2C + HO2 2.000E+13 0.00 4.964E+04 C8H18-2 + O2 = C8H17-2D + HO2 2.000E+13 0.00 4.964E+04 C8H18-2 + O2 = C8H17-2E + HO2 2.000E+13 0.00 4.964E+04 C8H18-2 + O2 = C8H17-2F + HO2 2.000E+13 0.00 4.964E+04 C8H18-2 + O2 = C8H17-2G + HO2 3.000E+13 0.00 5.280E+04 ! ! C8H18-2 + C2H5 = C8H17-2A + C2H6 1.000E+11 0.00 1.340E+04 C8H18-2 + C2H5 = C8H17-2B + C2H6 1.000E+11 0.00 7.900E+03 C8H18-2 + C2H5 = C8H17-2C + C2H6 5.000E+10 0.00 1.040E+04 C8H18-2 + C2H5 = C8H17-2D + C2H6 5.000E+10 0.00 1.040E+04 C8H18-2 + C2H5 = C8H17-2E + C2H6 5.000E+10 0.00 1.040E+04 C8H18-2 + C2H5 = C8H17-2F + C2H6 5.000E+10 0.00 1.040E+04 C8H18-2 + C2H5 = C8H17-2G + C2H6 5.000E+10 0.00 1.340E+04 ! ! C8H18-2 + C2H3 = C8H17-2A + C2H4 1.000E+12 0.00 1.800E+04 C8H18-2 + C2H3 = C8H17-2B + C2H4 2.000E+11 0.00 1.430E+04 C8H18-2 + C2H3 = C8H17-2C + C2H4 4.000E+11 0.00 1.680E+04 C8H18-2 + C2H3 = C8H17-2D + C2H4 4.000E+11 0.00 1.680E+04 C8H18-2 + C2H3 = C8H17-2E + C2H4 4.000E+11 0.00 1.680E+04 C8H18-2 + C2H3 = C8H17-2F + C2H4 4.000E+11 0.00 1.680E+04 C8H18-2 + C2H3 = C8H17-2G + C2H4 5.000E+11 0.00 1.800E+04 ! ! C8H18-2 + CH3O2 = C8H17-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C8H18-2 + CH3O2 = C8H17-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C8H18-2 + CH3O2 = C8H17-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C8H18-2 + CH3O2 = C8H17-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C8H18-2 + CH3O2 = C8H17-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C8H18-2 + CH3O2 = C8H17-2F + CH3O2H 1.0185E+01 3.58 1.481E+04 C8H18-2 + CH3O2 = C8H17-2G + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C8H18-2 + C8H17-2A = C8H17-2B + C8H18-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C8H18-2 + C8H17-2A = C8H17-2C + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C8H18-2 + C8H17-2A = C8H17-2D + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C8H18-2 + C8H17-2A = C8H17-2E + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C8H18-2 + C8H17-2A = C8H17-2F + C8H18-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C8H18-2 + C8H17-2A = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C8H18-2 + C8H17-2B = C8H17-2C + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C8H18-2 + C8H17-2B = C8H17-2D + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C8H18-2 + C8H17-2B = C8H17-2E + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C8H18-2 + C8H17-2B = C8H17-2F + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C8H18-2 + C8H17-2B = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C8H18-2 + C8H17-2C = C8H17-2D + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2C = C8H17-2E + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2C = C8H17-2F + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2C = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C8H18-2 + C8H17-2D = C8H17-2E + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2D = C8H17-2F + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2D = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C8H18-2 + C8H17-2E = C8H17-2F + C8H18-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C8H18-2 + C8H17-2E = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C8H18-2 + C8H17-2F = C8H17-2G + C8H18-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2A + C8H17OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2A + C8H17OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2A + C8H17OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2A + C8H17OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2A + C8H17OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2A + C8H17OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2A + C8H17OOH-7-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2B + C8H17OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2B + C8H17OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2B + C8H17OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2B + C8H17OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2B + C8H17OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2B + C8H17OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2B + C8H17OOH-7-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2C + C8H17OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2C + C8H17OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2C + C8H17OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2C + C8H17OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2C + C8H17OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2C + C8H17OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2C + C8H17OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2D + C8H17OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2D + C8H17OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2D + C8H17OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2D + C8H17OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2D + C8H17OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2D + C8H17OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2D + C8H17OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2E + C8H17OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2E + C8H17OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2E + C8H17OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2E + C8H17OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2E + C8H17OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2E + C8H17OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2E + C8H17OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2F + C8H17OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2F + C8H17OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2F + C8H17OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2F + C8H17OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2F + C8H17OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2F + C8H17OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2F + C8H17OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C8H18-2 + C8H17OO-1-2 = C8H17-2G + C8H17OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-2-2 = C8H17-2G + C8H17OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-3-2 = C8H17-2G + C8H17OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-4-2 = C8H17-2G + C8H17OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-5-2 = C8H17-2G + C8H17OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-6-2 = C8H17-2G + C8H17OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C8H18-2 + C8H17OO-7-2 = C8H17-2G + C8H17OOH-7-2 6.000E+12 0.00 2.043E+04 ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C9H20-2 + H = C9H19-2A + H2 1.330E+06 2.54 6.756E+03 C9H20-2 + H = C9H19-2B + H2 6.020E+05 2.40 2.583E+03 C9H20-2 + H = C9H19-2C + H2 1.300E+06 2.40 4.471E+03 C9H20-2 + H = C9H19-2D + H2 1.300E+06 2.40 4.471E+03 C9H20-2 + H = C9H19-2E + H2 1.300E+06 2.40 4.471E+03 C9H20-2 + H = C9H19-2F + H2 1.300E+06 2.40 4.471E+03 C9H20-2 + H = C9H19-2G + H2 1.300E+06 2.40 4.471E+03 C9H20-2 + H = C9H19-2H + H2 6.660E+05 2.54 6.756E+03 ! ! C9H20-2 + O = C9H19-2A + OH 1.960E+06 2.43 4.750E+03 C9H20-2 + O = C9H19-2B + OH 3.830E+05 2.41 1.140E+03 C9H20-2 + O = C9H19-2C + OH 5.520E+05 2.45 2.830E+03 C9H20-2 + O = C9H19-2D + OH 5.520E+05 2.45 2.830E+03 C9H20-2 + O = C9H19-2E + OH 5.520E+05 2.45 2.830E+03 C9H20-2 + O = C9H19-2F + OH 5.520E+05 2.45 2.830E+03 C9H20-2 + O = C9H19-2G + OH 5.520E+05 2.45 2.830E+03 C9H20-2 + O = C9H19-2H + OH 9.810E+05 2.43 4.750E+03 ! ! C9H20-2 + OH = C9H19-2A + H2O 1.056E+10 0.97 1.590E+03 C9H20-2 + OH = C9H19-2B + H2O 5.730E+10 0.51 6.300E+01 C9H20-2 + OH = C9H19-2C + H2O 4.680E+07 1.61 -3.500E+01 C9H20-2 + OH = C9H19-2D + H2O 4.680E+07 1.61 -3.500E+01 C9H20-2 + OH = C9H19-2E + H2O 4.680E+07 1.61 -3.500E+01 C9H20-2 + OH = C9H19-2F + H2O 4.680E+07 1.61 -3.500E+01 C9H20-2 + OH = C9H19-2G + H2O 4.680E+07 1.61 -3.500E+01 C9H20-2 + OH = C9H19-2H + H2O 5.280E+09 0.97 1.590E+03 ! ! C9H20-2 + CH3 = C9H19-2A + CH4 9.040E-01 3.65 7.154E+03 C9H20-2 + CH3 = C9H19-2B + CH4 6.010E-10 6.36 8.930E+02 C9H20-2 + CH3 = C9H19-2C + CH4 1.510E+00 3.46 5.481E+03 C9H20-2 + CH3 = C9H19-2D + CH4 1.510E+00 3.46 5.481E+03 C9H20-2 + CH3 = C9H19-2E + CH4 1.510E+00 3.46 5.481E+03 C9H20-2 + CH3 = C9H19-2F + CH4 1.510E+00 3.46 5.481E+03 C9H20-2 + CH3 = C9H19-2G + CH4 1.510E+00 3.46 5.481E+03 C9H20-2 + CH3 = C9H19-2H + CH4 4.520E-01 3.65 7.154E+03 ! ! C9H20-2 + HO2 = C9H19-2A + H2O2 4.080E+01 3.59 1.716E+04 C9H20-2 + HO2 = C9H19-2B + H2O2 6.500E+02 3.01 1.209E+04 C9H20-2 + HO2 = C9H19-2C + H2O2 6.320E+01 3.37 1.372E+04 C9H20-2 + HO2 = C9H19-2D + H2O2 6.320E+01 3.37 1.372E+04 C9H20-2 + HO2 = C9H19-2E + H2O2 6.320E+01 3.37 1.372E+04 C9H20-2 + HO2 = C9H19-2F + H2O2 6.320E+01 3.37 1.372E+04 C9H20-2 + HO2 = C9H19-2G + H2O2 6.320E+01 3.37 1.372E+04 C9H20-2 + HO2 = C9H19-2H + H2O2 2.040E+01 3.59 1.716E+04 ! ! C9H20-2 + CH3O = C9H19-2A + CH3OH 4.338E+11 0.00 6.548E+03 C9H20-2 + CH3O = C9H19-2B + CH3OH 2.290E+10 0.00 2.873E+03 C9H20-2 + CH3O = C9H19-2C + CH3OH 1.450E+11 0.00 4.571E+03 C9H20-2 + CH3O = C9H19-2D + CH3OH 1.450E+11 0.00 4.571E+03 C9H20-2 + CH3O = C9H19-2E + CH3OH 1.450E+11 0.00 4.571E+03 C9H20-2 + CH3O = C9H19-2F + CH3OH 1.450E+11 0.00 4.571E+03 C9H20-2 + CH3O = C9H19-2G + CH3OH 1.450E+11 0.00 4.571E+03 C9H20-2 + CH3O = C9H19-2H + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C9H20-2 + O2 = C9H19-2A + HO2 6.000E+13 0.00 5.229E+04 C9H20-2 + O2 = C9H19-2B + HO2 1.000E+13 0.00 4.820E+04 C9H20-2 + O2 = C9H19-2C + HO2 2.000E+13 0.00 4.964E+04 C9H20-2 + O2 = C9H19-2D + HO2 2.000E+13 0.00 4.964E+04 C9H20-2 + O2 = C9H19-2E + HO2 2.000E+13 0.00 4.964E+04 C9H20-2 + O2 = C9H19-2F + HO2 2.000E+13 0.00 4.964E+04 C9H20-2 + O2 = C9H19-2G + HO2 2.000E+13 0.00 4.964E+04 C9H20-2 + O2 = C9H19-2H + HO2 3.000E+13 0.00 5.280E+04 ! ! C9H20-2 + C2H5 = C9H19-2A + C2H6 1.000E+11 0.00 1.340E+04 C9H20-2 + C2H5 = C9H19-2B + C2H6 1.000E+11 0.00 7.900E+03 C9H20-2 + C2H5 = C9H19-2C + C2H6 5.000E+10 0.00 1.040E+04 C9H20-2 + C2H5 = C9H19-2D + C2H6 5.000E+10 0.00 1.040E+04 C9H20-2 + C2H5 = C9H19-2E + C2H6 5.000E+10 0.00 1.040E+04 C9H20-2 + C2H5 = C9H19-2F + C2H6 5.000E+10 0.00 1.040E+04 C9H20-2 + C2H5 = C9H19-2G + C2H6 5.000E+10 0.00 1.040E+04 C9H20-2 + C2H5 = C9H19-2H + C2H6 5.000E+10 0.00 1.340E+04 ! ! C9H20-2 + C2H3 = C9H19-2A + C2H4 1.000E+12 0.00 1.800E+04 C9H20-2 + C2H3 = C9H19-2B + C2H4 2.000E+11 0.00 1.430E+04 C9H20-2 + C2H3 = C9H19-2C + C2H4 4.000E+11 0.00 1.680E+04 C9H20-2 + C2H3 = C9H19-2D + C2H4 4.000E+11 0.00 1.680E+04 C9H20-2 + C2H3 = C9H19-2E + C2H4 4.000E+11 0.00 1.680E+04 C9H20-2 + C2H3 = C9H19-2F + C2H4 4.000E+11 0.00 1.680E+04 C9H20-2 + C2H3 = C9H19-2G + C2H4 4.000E+11 0.00 1.680E+04 C9H20-2 + C2H3 = C9H19-2H + C2H4 5.000E+11 0.00 1.800E+04 ! ! C9H20-2 + CH3O2 = C9H19-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C9H20-2 + CH3O2 = C9H19-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C9H20-2 + CH3O2 = C9H19-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C9H20-2 + CH3O2 = C9H19-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C9H20-2 + CH3O2 = C9H19-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C9H20-2 + CH3O2 = C9H19-2F + CH3O2H 1.0185E+01 3.58 1.481E+04 C9H20-2 + CH3O2 = C9H19-2G + CH3O2H 1.0185E+01 3.58 1.481E+04 C9H20-2 + CH3O2 = C9H19-2H + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C9H20-2 + C9H19-2A = C9H19-2B + C9H20-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C9H20-2 + C9H19-2A = C9H19-2C + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C9H20-2 + C9H19-2A = C9H19-2D + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C9H20-2 + C9H19-2A = C9H19-2E + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C9H20-2 + C9H19-2A = C9H19-2F + C9H20-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C9H20-2 + C9H19-2A = C9H19-2G + C9H20-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C9H20-2 + C9H19-2A = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C9H20-2 + C9H19-2B = C9H19-2C + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C9H20-2 + C9H19-2B = C9H19-2D + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C9H20-2 + C9H19-2B = C9H19-2E + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C9H20-2 + C9H19-2B = C9H19-2F + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C9H20-2 + C9H19-2B = C9H19-2G + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C9H20-2 + C9H19-2B = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C9H20-2 + C9H19-2C = C9H19-2D + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2C = C9H19-2E + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2C = C9H19-2F + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2C = C9H19-2G + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2C = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C9H20-2 + C9H19-2D = C9H19-2E + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2D = C9H19-2F + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2D = C9H19-2G + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2D = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C9H20-2 + C9H19-2E = C9H19-2F + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2E = C9H19-2G + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2E = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C9H20-2 + C9H19-2F = C9H19-2G + C9H20-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C9H20-2 + C9H19-2F = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C9H20-2 + C9H19-2G = C9H19-2H + C9H20-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2A + C9H19OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2A + C9H19OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2A + C9H19OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2A + C9H19OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2A + C9H19OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2A + C9H19OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2A + C9H19OOH-7-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2A + C9H19OOH-8-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2B + C9H19OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2B + C9H19OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2B + C9H19OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2B + C9H19OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2B + C9H19OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2B + C9H19OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2B + C9H19OOH-7-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2B + C9H19OOH-8-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2C + C9H19OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2C + C9H19OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2C + C9H19OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2C + C9H19OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2C + C9H19OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2C + C9H19OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2C + C9H19OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2C + C9H19OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2D + C9H19OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2D + C9H19OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2D + C9H19OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2D + C9H19OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2D + C9H19OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2D + C9H19OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2D + C9H19OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2D + C9H19OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2E + C9H19OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2E + C9H19OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2E + C9H19OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2E + C9H19OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2E + C9H19OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2E + C9H19OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2E + C9H19OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2E + C9H19OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2F + C9H19OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2F + C9H19OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2F + C9H19OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2F + C9H19OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2F + C9H19OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2F + C9H19OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2F + C9H19OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2F + C9H19OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2G + C9H19OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2G + C9H19OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2G + C9H19OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2G + C9H19OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2G + C9H19OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2G + C9H19OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2G + C9H19OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2G + C9H19OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C9H20-2 + C9H19OO-1-2 = C9H19-2H + C9H19OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-2-2 = C9H19-2H + C9H19OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-3-2 = C9H19-2H + C9H19OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-4-2 = C9H19-2H + C9H19OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-5-2 = C9H19-2H + C9H19OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-6-2 = C9H19-2H + C9H19OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-7-2 = C9H19-2H + C9H19OOH-7-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C9H20-2 + C9H19OO-8-2 = C9H19-2H + C9H19OOH-8-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C10H22-2 + H = C10H21-2A + H2 1.330E+06 2.54 6.756E+03 C10H22-2 + H = C10H21-2B + H2 6.020E+05 2.40 2.583E+03 C10H22-2 + H = C10H21-2C + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2D + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2E + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2F + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2G + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2H + H2 1.300E+06 2.40 4.471E+03 C10H22-2 + H = C10H21-2I + H2 6.660E+05 2.54 6.756E+03 ! ! C10H22-2 + O = C10H21-2A + OH 1.960E+06 2.43 4.750E+03 C10H22-2 + O = C10H21-2B + OH 3.830E+05 2.41 1.140E+03 C10H22-2 + O = C10H21-2C + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2D + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2E + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2F + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2G + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2H + OH 5.520E+05 2.45 2.830E+03 C10H22-2 + O = C10H21-2I + OH 9.810E+05 2.43 4.750E+03 ! ! C10H22-2 + OH = C10H21-2A + H2O 1.056E+10 0.97 1.590E+03 C10H22-2 + OH = C10H21-2B + H2O 5.730E+10 0.51 6.300E+01 C10H22-2 + OH = C10H21-2C + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2D + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2E + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2F + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2G + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2H + H2O 4.680E+07 1.61 -3.500E+01 C10H22-2 + OH = C10H21-2I + H2O 5.280E+09 0.97 1.590E+03 ! ! C10H22-2 + CH3 = C10H21-2A + CH4 9.040E-01 3.65 7.154E+03 C10H22-2 + CH3 = C10H21-2B + CH4 6.010E-10 6.36 8.930E+02 C10H22-2 + CH3 = C10H21-2C + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2D + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2E + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2F + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2G + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2H + CH4 1.510E+00 3.46 5.481E+03 C10H22-2 + CH3 = C10H21-2I + CH4 4.520E-01 3.65 7.154E+03 ! ! C10H22-2 + HO2 = C10H21-2A + H2O2 4.080E+01 3.59 1.716E+04 C10H22-2 + HO2 = C10H21-2B + H2O2 6.500E+02 3.01 1.209E+04 C10H22-2 + HO2 = C10H21-2C + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2D + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2E + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2F + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2G + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2H + H2O2 6.320E+01 3.37 1.372E+04 C10H22-2 + HO2 = C10H21-2I + H2O2 2.040E+01 3.59 1.716E+04 ! ! C10H22-2 + CH3O = C10H21-2A + CH3OH 4.338E+11 0.00 6.548E+03 C10H22-2 + CH3O = C10H21-2B + CH3OH 2.290E+10 0.00 2.873E+03 C10H22-2 + CH3O = C10H21-2C + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2D + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2E + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2F + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2G + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2H + CH3OH 1.450E+11 0.00 4.571E+03 C10H22-2 + CH3O = C10H21-2I + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C10H22-2 + O2 = C10H21-2A + HO2 6.000E+13 0.00 5.229E+04 C10H22-2 + O2 = C10H21-2B + HO2 1.000E+13 0.00 4.820E+04 C10H22-2 + O2 = C10H21-2C + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2D + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2E + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2F + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2G + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2H + HO2 2.000E+13 0.00 4.964E+04 C10H22-2 + O2 = C10H21-2I + HO2 3.000E+13 0.00 5.280E+04 ! ! C10H22-2 + C2H5 = C10H21-2A + C2H6 1.000E+11 0.00 1.340E+04 C10H22-2 + C2H5 = C10H21-2B + C2H6 1.000E+11 0.00 7.900E+03 C10H22-2 + C2H5 = C10H21-2C + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2D + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2E + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2F + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2G + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2H + C2H6 5.000E+10 0.00 1.040E+04 C10H22-2 + C2H5 = C10H21-2I + C2H6 5.000E+10 0.00 1.340E+04 ! ! C10H22-2 + C2H3 = C10H21-2A + C2H4 1.000E+12 0.00 1.800E+04 C10H22-2 + C2H3 = C10H21-2B + C2H4 2.000E+11 0.00 1.430E+04 C10H22-2 + C2H3 = C10H21-2C + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2D + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2E + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2F + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2G + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2H + C2H4 4.000E+11 0.00 1.680E+04 C10H22-2 + C2H3 = C10H21-2I + C2H4 5.000E+11 0.00 1.800E+04 ! ! C10H22-2 + CH3O2 = C10H21-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C10H22-2 + CH3O2 = C10H21-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C10H22-2 + CH3O2 = C10H21-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2F + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2G + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2H + CH3O2H 1.0185E+01 3.58 1.481E+04 C10H22-2 + CH3O2 = C10H21-2I + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C10H22-2 + C10H21-2A = C10H21-2B + C10H22-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C10H22-2 + C10H21-2A = C10H21-2C + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C10H22-2 + C10H21-2A = C10H21-2D + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C10H22-2 + C10H21-2A = C10H21-2E + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C10H22-2 + C10H21-2A = C10H21-2F + C10H22-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C10H22-2 + C10H21-2A = C10H21-2G + C10H22-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C10H22-2 + C10H21-2A = C10H21-2H + C10H22-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C10H22-2 + C10H21-2A = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C10H22-2 + C10H21-2B = C10H21-2C + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2D + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2E + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2F + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2G + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C10H22-2 + C10H21-2B = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C10H22-2 + C10H21-2C = C10H21-2D + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2C = C10H21-2E + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2C = C10H21-2F + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2C = C10H21-2G + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2C = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2C = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C10H22-2 + C10H21-2D = C10H21-2E + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2D = C10H21-2F + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2D = C10H21-2G + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2D = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2D = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C10H22-2 + C10H21-2E = C10H21-2F + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2E = C10H21-2G + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2E = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2E = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C10H22-2 + C10H21-2F = C10H21-2G + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2F = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2F = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C10H22-2 + C10H21-2G = C10H21-2H + C10H22-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C10H22-2 + C10H21-2G = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C10H22-2 + C10H21-2H = C10H21-2I + C10H22-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C10H22-2 + C10H21OO-1-2 = C10H21-2A + C10H21OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2A + C10H21OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2A + C10H21OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2A + C10H21OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2A + C10H21OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2A + C10H21OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2A + C10H21OOH-7-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2A + C10H21OOH-8-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2A + C10H21OOH-9-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2B + C10H21OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2B + C10H21OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2B + C10H21OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2B + C10H21OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2B + C10H21OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2B + C10H21OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2B + C10H21OOH-7-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2B + C10H21OOH-8-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2B + C10H21OOH-9-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2C + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2C + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2C + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2C + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2C + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2C + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2C + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2C + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2C + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2D + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2D + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2D + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2D + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2D + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2D + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2D + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2D + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2D + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2E + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2E + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2E + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2E + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2E + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2E + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2E + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2E + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2E + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2F + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2F + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2F + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2F + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2F + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2F + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2F + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2F + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2F + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2G + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2G + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2G + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2G + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2G + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2G + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2G + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2G + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2G + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2H + C10H21OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2H + C10H21OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2H + C10H21OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2H + C10H21OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2H + C10H21OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2H + C10H21OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2H + C10H21OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2H + C10H21OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2H + C10H21OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C10H22-2 + C10H21OO-1-2 = C10H21-2I + C10H21OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-2-2 = C10H21-2I + C10H21OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-3-2 = C10H21-2I + C10H21OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-4-2 = C10H21-2I + C10H21OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-5-2 = C10H21-2I + C10H21OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-6-2 = C10H21-2I + C10H21OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-7-2 = C10H21-2I + C10H21OOH-7-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-8-2 = C10H21-2I + C10H21OOH-8-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C10H22-2 + C10H21OO-9-2 = C10H21-2I + C10H21OOH-9-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C11H24-2 + H = C11H23-2A + H2 1.330E+06 2.54 6.756E+03 C11H24-2 + H = C11H23-2B + H2 6.020E+05 2.40 2.583E+03 C11H24-2 + H = C11H23-2C + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2D + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2E + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2F + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2G + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2H + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2I + H2 1.300E+06 2.40 4.471E+03 C11H24-2 + H = C11H23-2J + H2 6.660E+05 2.54 6.756E+03 ! ! C11H24-2 + O = C11H23-2A + OH 1.960E+06 2.43 4.750E+03 C11H24-2 + O = C11H23-2B + OH 3.830E+05 2.41 1.140E+03 C11H24-2 + O = C11H23-2C + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2D + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2E + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2F + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2G + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2H + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2I + OH 5.520E+05 2.45 2.830E+03 C11H24-2 + O = C11H23-2J + OH 9.810E+05 2.43 4.750E+03 ! ! C11H24-2 + OH = C11H23-2A + H2O 1.056E+10 0.97 1.590E+03 C11H24-2 + OH = C11H23-2B + H2O 5.730E+10 0.51 6.300E+01 C11H24-2 + OH = C11H23-2C + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2D + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2E + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2F + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2G + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2H + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2I + H2O 4.680E+07 1.61 -3.500E+01 C11H24-2 + OH = C11H23-2J + H2O 5.280E+09 0.97 1.590E+03 ! ! C11H24-2 + CH3 = C11H23-2A + CH4 9.040E-01 3.65 7.154E+03 C11H24-2 + CH3 = C11H23-2B + CH4 6.010E-10 6.36 8.930E+02 C11H24-2 + CH3 = C11H23-2C + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2D + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2E + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2F + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2G + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2H + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2I + CH4 1.510E+00 3.46 5.481E+03 C11H24-2 + CH3 = C11H23-2J + CH4 4.520E-01 3.65 7.154E+03 ! ! C11H24-2 + HO2 = C11H23-2A + H2O2 4.080E+01 3.59 1.716E+04 C11H24-2 + HO2 = C11H23-2B + H2O2 6.500E+02 3.01 1.209E+04 C11H24-2 + HO2 = C11H23-2C + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2D + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2E + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2F + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2G + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2H + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2I + H2O2 6.320E+01 3.37 1.372E+04 C11H24-2 + HO2 = C11H23-2J + H2O2 2.040E+01 3.59 1.716E+04 ! ! C11H24-2 + CH3O = C11H23-2A + CH3OH 4.338E+11 0.00 6.548E+03 C11H24-2 + CH3O = C11H23-2B + CH3OH 2.290E+10 0.00 2.873E+03 C11H24-2 + CH3O = C11H23-2C + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2D + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2E + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2F + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2G + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2H + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2I + CH3OH 1.450E+11 0.00 4.571E+03 C11H24-2 + CH3O = C11H23-2J + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C11H24-2 + O2 = C11H23-2A + HO2 6.000E+13 0.00 5.229E+04 C11H24-2 + O2 = C11H23-2B + HO2 1.000E+13 0.00 4.820E+04 C11H24-2 + O2 = C11H23-2C + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2D + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2E + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2F + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2G + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2H + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2I + HO2 2.000E+13 0.00 4.964E+04 C11H24-2 + O2 = C11H23-2J + HO2 3.000E+13 0.00 5.280E+04 ! ! C11H24-2 + C2H5 = C11H23-2A + C2H6 1.000E+11 0.00 1.340E+04 C11H24-2 + C2H5 = C11H23-2B + C2H6 1.000E+11 0.00 7.900E+03 C11H24-2 + C2H5 = C11H23-2C + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2D + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2E + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2F + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2G + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2H + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2I + C2H6 5.000E+10 0.00 1.040E+04 C11H24-2 + C2H5 = C11H23-2J + C2H6 5.000E+10 0.00 1.340E+04 ! ! C11H24-2 + C2H3 = C11H23-2A + C2H4 1.000E+12 0.00 1.800E+04 C11H24-2 + C2H3 = C11H23-2B + C2H4 2.000E+11 0.00 1.430E+04 C11H24-2 + C2H3 = C11H23-2C + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2D + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2E + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2F + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2G + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2H + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2I + C2H4 4.000E+11 0.00 1.680E+04 C11H24-2 + C2H3 = C11H23-2J + C2H4 5.000E+11 0.00 1.800E+04 ! ! C11H24-2 + CH3O2 = C11H23-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C11H24-2 + CH3O2 = C11H23-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C11H24-2 + CH3O2 = C11H23-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2F + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2G + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2H + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2I + CH3O2H 1.0185E+01 3.58 1.481E+04 C11H24-2 + CH3O2 = C11H23-2J + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C11H24-2 + C11H23-2A = C11H23-2B + C11H24-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C11H24-2 + C11H23-2A = C11H23-2C + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C11H24-2 + C11H23-2A = C11H23-2D + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C11H24-2 + C11H23-2A = C11H23-2E + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C11H24-2 + C11H23-2A = C11H23-2F + C11H24-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C11H24-2 + C11H23-2A = C11H23-2G + C11H24-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C11H24-2 + C11H23-2A = C11H23-2H + C11H24-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C11H24-2 + C11H23-2A = C11H23-2I + C11H24-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C11H24-2 + C11H23-2A = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C11H24-2 + C11H23-2B = C11H23-2C + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2D + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2E + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2F + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2G + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C11H24-2 + C11H23-2B = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C11H24-2 + C11H23-2C = C11H23-2D + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2E + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2F + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2G + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2C = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C11H24-2 + C11H23-2D = C11H23-2E + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2D = C11H23-2F + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2D = C11H23-2G + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2D = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2D = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2D = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C11H24-2 + C11H23-2E = C11H23-2F + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2E = C11H23-2G + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2E = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2E = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2E = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C11H24-2 + C11H23-2F = C11H23-2G + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2F = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2F = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2F = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C11H24-2 + C11H23-2G = C11H23-2H + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2G = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2G = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C11H24-2 + C11H23-2H = C11H23-2I + C11H24-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C11H24-2 + C11H23-2H = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C11H24-2 + C11H23-2I = C11H23-2J + C11H24-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C11H24-2 + C11H23OO-1-2 = C11H23-2A + C11H23OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2A + C11H23OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2A + C11H23OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2A + C11H23OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2A + C11H23OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2A + C11H23OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2A + C11H23OOH-7-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2A + C11H23OOH-8-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2A + C11H23OOH-9-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2A + C11H23OOH-10-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2B + C11H23OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2B + C11H23OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2B + C11H23OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2B + C11H23OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2B + C11H23OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2B + C11H23OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2B + C11H23OOH-7-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2B + C11H23OOH-8-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2B + C11H23OOH-9-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2B + C11H23OOH-10-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2C + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2C + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2C + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2C + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2C + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2C + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2C + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2C + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2C + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2C + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2D + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2D + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2D + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2D + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2D + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2D + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2D + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2D + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2D + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2D + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2E + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2E + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2E + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2E + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2E + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2E + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2E + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2E + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2E + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2E + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2F + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2F + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2F + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2F + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2F + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2F + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2F + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2F + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2F + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2F + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2G + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2G + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2G + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2G + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2G + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2G + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2G + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2G + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2G + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2G + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2H + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2H + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2H + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2H + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2H + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2H + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2H + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2H + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2H + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2H + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2I + C11H23OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2I + C11H23OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2I + C11H23OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2I + C11H23OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2I + C11H23OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2I + C11H23OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2I + C11H23OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2I + C11H23OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2I + C11H23OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2I + C11H23OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C11H24-2 + C11H23OO-1-2 = C11H23-2J + C11H23OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-2-2 = C11H23-2J + C11H23OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-3-2 = C11H23-2J + C11H23OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-4-2 = C11H23-2J + C11H23OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-5-2 = C11H23-2J + C11H23OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-6-2 = C11H23-2J + C11H23OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-7-2 = C11H23-2J + C11H23OOH-7-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-8-2 = C11H23-2J + C11H23OOH-8-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-9-2 = C11H23-2J + C11H23OOH-9-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C11H24-2 + C11H23OO-10-2 = C11H23-2J + C11H23OOH-10-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! CLASS 2 H ATOM ABSTRACTION FROM FUEL C12H26-2 + H = C12H25-2A + H2 1.330E+06 2.54 6.756E+03 C12H26-2 + H = C12H25-2B + H2 6.020E+05 2.40 2.583E+03 C12H26-2 + H = C12H25-2C + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2D + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2E + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2F + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2G + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2H + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2I + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2J + H2 1.300E+06 2.40 4.471E+03 C12H26-2 + H = C12H25-2K + H2 6.660E+05 2.54 6.756E+03 ! ! C12H26-2 + O = C12H25-2A + OH 1.960E+06 2.43 4.750E+03 C12H26-2 + O = C12H25-2B + OH 3.830E+05 2.41 1.140E+03 C12H26-2 + O = C12H25-2C + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2D + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2E + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2F + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2G + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2H + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2I + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2J + OH 5.520E+05 2.45 2.830E+03 C12H26-2 + O = C12H25-2K + OH 9.810E+05 2.43 4.750E+03 ! ! C12H26-2 + OH = C12H25-2A + H2O 1.056E+10 0.97 1.590E+03 C12H26-2 + OH = C12H25-2B + H2O 5.730E+10 0.51 6.300E+01 C12H26-2 + OH = C12H25-2C + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2D + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2E + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2F + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2G + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2H + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2I + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2J + H2O 4.680E+07 1.61 -3.500E+01 C12H26-2 + OH = C12H25-2K + H2O 5.280E+09 0.97 1.590E+03 ! ! C12H26-2 + CH3 = C12H25-2A + CH4 9.040E-01 3.65 7.154E+03 C12H26-2 + CH3 = C12H25-2B + CH4 6.010E-10 6.36 8.930E+02 C12H26-2 + CH3 = C12H25-2C + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2D + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2E + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2F + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2G + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2H + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2I + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2J + CH4 1.510E+00 3.46 5.481E+03 C12H26-2 + CH3 = C12H25-2K + CH4 4.520E-01 3.65 7.154E+03 ! ! C12H26-2 + HO2 = C12H25-2A + H2O2 4.080E+01 3.59 1.716E+04 C12H26-2 + HO2 = C12H25-2B + H2O2 6.500E+02 3.01 1.209E+04 C12H26-2 + HO2 = C12H25-2C + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2D + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2E + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2F + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2G + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2H + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2I + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2J + H2O2 6.320E+01 3.37 1.372E+04 C12H26-2 + HO2 = C12H25-2K + H2O2 2.040E+01 3.59 1.716E+04 ! ! C12H26-2 + CH3O = C12H25-2A + CH3OH 4.338E+11 0.00 6.548E+03 C12H26-2 + CH3O = C12H25-2B + CH3OH 2.290E+10 0.00 2.873E+03 C12H26-2 + CH3O = C12H25-2C + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2D + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2E + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2F + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2G + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2H + CH3OH 1.450E+11 0.00 4.571E+03 C12H26-2 + CH3O = C12H25-2I + CH3OH 1.100E+11 0.00 5.001E+03 C12H26-2 + CH3O = C12H25-2J + CH3OH 1.100E+11 0.00 5.002E+03 C12H26-2 + CH3O = C12H25-2K + CH3OH 2.169E+11 0.00 6.548E+03 ! ! C12H26-2 + O2 = C12H25-2A + HO2 6.000E+13 0.00 5.229E+04 C12H26-2 + O2 = C12H25-2B + HO2 1.000E+13 0.00 4.820E+04 C12H26-2 + O2 = C12H25-2C + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2D + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2E + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2F + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2G + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2H + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2I + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2J + HO2 2.000E+13 0.00 4.964E+04 C12H26-2 + O2 = C12H25-2K + HO2 3.000E+13 0.00 5.280E+04 ! ! C12H26-2 + C2H5 = C12H25-2A + C2H6 1.000E+11 0.00 1.340E+04 C12H26-2 + C2H5 = C12H25-2B + C2H6 1.000E+11 0.00 7.900E+03 C12H26-2 + C2H5 = C12H25-2C + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2D + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2E + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2F + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2G + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2H + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2I + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2J + C2H6 5.000E+10 0.00 1.040E+04 C12H26-2 + C2H5 = C12H25-2K + C2H6 5.000E+10 0.00 1.340E+04 ! ! C12H26-2 + C2H3 = C12H25-2A + C2H4 1.000E+12 0.00 1.800E+04 C12H26-2 + C2H3 = C12H25-2B + C2H4 2.000E+11 0.00 1.430E+04 C12H26-2 + C2H3 = C12H25-2C + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2D + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2E + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2F + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2G + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2H + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2I + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2J + C2H4 4.000E+11 0.00 1.680E+04 C12H26-2 + C2H3 = C12H25-2K + C2H4 5.000E+11 0.00 1.800E+04 ! ! C12H26-2 + CH3O2 = C12H25-2A + CH3O2H 1.386E+00 3.97 1.828E+04 C12H26-2 + CH3O2 = C12H25-2B + CH3O2H 2.060E+02 3.12 1.319E+04 C12H26-2 + CH3O2 = C12H25-2C + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2D + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2E + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2F + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2G + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2H + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2I + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2J + CH3O2H 1.0185E+01 3.58 1.481E+04 C12H26-2 + CH3O2 = C12H25-2K + CH3O2H 6.930E-01 3.97 1.828E+04 ! ! C12H26-2 + C12H25-2A = C12H25-2B + C12H26-2 2.500E+10 0.00 7.900E+03 REV / 1.500E+11 0.00 1.230E+04 / C12H26-2 + C12H25-2A = C12H25-2C + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C12H26-2 + C12H25-2A = C12H25-2D + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C12H26-2 + C12H25-2A = C12H25-2E + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 1.500E+11 0.00 1.230E+04 / C12H26-2 + C12H25-2A = C12H25-2F + C12H26-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C12H26-2 + C12H25-2A = C12H25-2G + C12H26-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C12H26-2 + C12H25-2A = C12H25-2H + C12H26-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C12H26-2 + C12H25-2A = C12H25-2I + C12H26-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C12H26-2 + C12H25-2A = C12H25-2J + C12H26-2 5.000E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.040E+04 / C12H26-2 + C12H25-2A = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 1.500E+11 0.00 1.230E+04 / ! ! C12H26-2 + C12H25-2B = C12H25-2C + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2D + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2E + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2F + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2G + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 2.500E+10 0.00 7.900E+03 / C12H26-2 + C12H25-2B = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 2.500E+10 0.00 7.900E+03 / ! ! C12H26-2 + C12H25-2C = C12H25-2D + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2E + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2F + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2G + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2C = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C12H26-2 + C12H25-2D = C12H25-2E + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2F + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2G + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2D = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C12H26-2 + C12H25-2E = C12H25-2F + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2E = C12H25-2G + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2E = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2E = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2E = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2E = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! ! C12H26-2 + C12H25-2F = C12H25-2G + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2F = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2F = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2F = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2F = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C12H26-2 + C12H25-2G = C12H25-2H + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2G = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2G = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2G = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C12H26-2 + C12H25-2H = C12H25-2I + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2H = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2H = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C12H26-2 + C12H25-2I = C12H25-2J + C12H26-2 5.000E+10 0.00 1.040E+04 REV / 5.000E+10 0.00 1.040E+04 / C12H26-2 + C12H25-2I = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C12H26-2 + C12H25-2J = C12H25-2K + C12H26-2 7.500E+10 0.00 1.230E+04 REV / 5.000E+10 0.00 1.040E+04 / ! C12H26-2 + C12H25OO-1-2 = C12H25-2A + C12H25OOH-1-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2A + C12H25OOH-2-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2A + C12H25OOH-3-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2A + C12H25OOH-4-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2A + C12H25OOH-5-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2A + C12H25OOH-6-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2A + C12H25OOH-7-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2A + C12H25OOH-8-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2A + C12H25OOH-9-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2A + C12H25OOH-10-2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2A + C12H25OOH-11 -2 1.200E+13 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2B + C12H25OOH-1-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2B + C12H25OOH-2-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2B + C12H25OOH-3-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2B + C12H25OOH-4-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2B + C12H25OOH-5-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2B + C12H25OOH-6-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2B + C12H25OOH-7-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2B + C12H25OOH-8-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2B + C12H25OOH-9-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2B + C12H25OOH-10-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2B + C12H25OOH-11-2 2.000E+12 0.00 1.600E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2C + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2C + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2C + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2C + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2C + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2C + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2C + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2C + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2C + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2C + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2C + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2D + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2D + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2D + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2D + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2D + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2D + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2D + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2D + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2D + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2D + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2D + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2E + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2E + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2E + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2E + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2E + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2E + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2E + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2E + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2E + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2E + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2E + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2F + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2F + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2F + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2F + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2F + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2F + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2F + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2F + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2F + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2F + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2F + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2G + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2G + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2G + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2G + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2G + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2G + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2G + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2G + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2G + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2G + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2G + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2H + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2H + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2H + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2H + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2H + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2H + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2H + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2H + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2H + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2H + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2H + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2I + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2I + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2I + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2I + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2I + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2I + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2I + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2I + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2I + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2I + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2I + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2J + C12H25OOH-1-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2J + C12H25OOH-2-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2J + C12H25OOH-3-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2J + C12H25OOH-4-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2J + C12H25OOH-5-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2J + C12H25OOH-6-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2J + C12H25OOH-7-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2J + C12H25OOH-8-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2J + C12H25OOH-9-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2J + C12H25OOH-10-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2J + C12H25OOH-11-2 4.000E+12 0.00 1.770E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! C12H26-2 + C12H25OO-1-2 = C12H25-2K + C12H25OOH-1-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-2-2 = C12H25-2K + C12H25OOH-2-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-3-2 = C12H25-2K + C12H25OOH-3-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-4-2 = C12H25-2K + C12H25OOH-4-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-5-2 = C12H25-2K + C12H25OOH-5-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-6-2 = C12H25-2K + C12H25OOH-6-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-7-2 = C12H25-2K + C12H25OOH-7-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-8-2 = C12H25-2K + C12H25OOH-8-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-9-2 = C12H25-2K + C12H25OOH-9-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-10-2 = C12H25-2K + C12H25OOH-10-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / C12H26-2 + C12H25OO-11-2 = C12H25-2K + C12H25OOH-11-2 6.000E+12 0.00 2.043E+04 REV / 1.440E+10 0.00 1.500E+04 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! C7H15-2A = PC4H9 + C3H6 3.68E+15 -0.56 31359 C7H15-2A = CH3 + C6H12-1 9.55E+14 -0.59 30592 H + C7H14-1-2 = C7H15-2A 2.500E+11 0.51 2620.0 ! C7H15-2B = NC3H7 + IC4H8 1.71E+12 0.31 26610 H + C7H14-1-2 = C7H15-2B 4.240E+11 0.51 1230.0 H + C7H14-2-2 = C7H15-2B 2.500E+11 0.51 2620.0 ! C7H15-2C = C2H5 + CC5H10 3.08E+13 0.03 28992 C7H15-2C = CH3 + C6H12-2 1.77E+13 0.11 30542 H + C7H14-2-2 = C7H15-2C 2.500E+11 0.51 2620.0 H + C7H14-3-2 = C7H15-2C 2.500E+11 0.51 2620.0 ! C7H15-2D = IC3H7 + C4H8-1 6.98E+12 0.16 24963 C7H15-2D = CH3 + DC6H12 9.55E+14 -0.59 30592 H + C7H14-3-2 = C7H15-2D 2.500E+11 0.51 2620.0 H + C7H14-4-2 = C7H15-2D 2.500E+11 0.51 2620.0 ! C7H15-2E = IC4H9 + C3H6 1.06E+13 0.07 27125 H + C7H14-4-2 = C7H15-2E 2.500E+11 0.51 2620.0 H + C7H14-5-2 = C7H15-2E 2.500E+11 0.51 2620.0 ! C7H15-2F = DC5H11 + C2H4 2.64E+15 -0.55 31136 H + C7H14-5-2 = C7H15-2F 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! C8H17-2A = C5H11-1 + C3H6 3.68E+15 -0.56 31359 C8H17-2A = CH3 + C7H14-1 9.55E+14 -0.59 30592 H + C8H16-1-2 = C8H17-2A 2.500E+11 0.51 2620.0 ! C8H17-2B = PC4H9 + IC4H8 1.71E+12 0.31 26610 H + C8H16-1-2 = C8H17-2B 4.240E+11 0.51 1230.0 H + C8H16-2-2 = C8H17-2B 2.500E+11 0.51 2620.0 ! C8H17-2C = NC3H7 + CC5H10 3.08E+13 0.03 28992 C8H17-2C = CH3 + C7H14-2 1.77E+13 0.11 30542 H + C8H16-2-2 = C8H17-2C 2.500E+11 0.51 2620.0 H + C8H16-3-2 = C8H17-2C 2.500E+11 0.51 2620.0 ! C8H17-2D = IC3H7 + C5H10-1 6.98E+12 0.16 24963 C8H17-2D = C2H5 + DC6H12 3.08E+13 0.03 28992 H + C8H16-3-2 = C8H17-2D 2.500E+11 0.51 2620.0 H + C8H16-4-2 = C8H17-2D 2.500E+11 0.51 2620.0 ! C8H17-2E = IC4H9 + C4H8-1 6.98E+12 0.16 24963 C8H17-2E = CH3 + C7H14-5-2 9.55E+14 -0.59 30592 H + C8H16-4-2 = C8H17-2E 2.500E+11 0.51 2620.0 H + C8H16-5-2 = C8H17-2E 2.500E+11 0.51 2620.0 ! C8H17-2F = DC5H11 + C3H6 1.06E+13 0.07 27125 H + C8H16-5-2 = C8H17-2F 2.500E+11 0.51 2620.0 H + C8H16-6-2 = C8H17-2F 2.500E+11 0.51 2620.0 ! ! C8H17-2G = EC6H13 + C2H4 2.64E+15 -0.55 31136 H + C8H16-6-2 = C8H17-2G 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! C9H19-2A = C6H13-1 + C3H6 3.68E+15 -0.56 31359 C9H19-2A = CH3 + C8H16-1 9.55E+14 -0.59 30592 ! C9H19-2B = C5H11-1 + IC4H8 1.71E+12 0.31 26610 ! C9H19-2C = PC4H9 + CC5H10 3.08E+13 0.03 28992 C9H19-2C = CH3 + C8H16-2 1.77E+13 0.11 30542 ! C9H19-2D = IC3H7 + C6H12-1 6.98E+12 0.16 24963 C9H19-2D = NC3H7 + DC6H12 3.08E+13 0.03 28992 ! C9H19-2E = IC4H9 + C5H10-1 6.98E+12 0.16 24963 C9H19-2E = C2H5 + C7H14-5-2 3.08E+13 0.03 28992 ! C9H19-2F = DC5H11 + C4H8-1 6.98E+12 0.16 24963 C9H19-2F = CH3 + C8H16-6-2 9.55E+14 -0.59 30592 ! ! C9H19-2G = EC6H13 + C3H6 1.06E+13 0.07 27125 ! C9H19-2H = C7H15-2F + C2H4 2.64E+15 -0.55 31136 ! H + C9H18-1-2 = C9H19-2A 2.500E+11 0.51 2620.0 ! H + C9H18-1-2 = C9H19-2B 4.240E+11 0.51 1230.0 H + C9H18-2-2 = C9H19-2B 2.500E+11 0.51 2620.0 ! H + C9H18-2-2 = C9H19-2C 2.500E+11 0.51 2620.0 H + C9H18-3-2 = C9H19-2C 2.500E+11 0.51 2620.0 ! H + C9H18-3-2 = C9H19-2D 2.500E+11 0.51 2620.0 H + C9H18-4-2 = C9H19-2D 2.500E+11 0.51 2620.0 ! H + C9H18-4-2 = C9H19-2E 2.500E+11 0.51 2620.0 H + C9H18-5-2 = C9H19-2E 2.500E+11 0.51 2620.0 ! H + C9H18-5-2 = C9H19-2F 2.500E+11 0.51 2620.0 H + C9H18-6-2 = C9H19-2F 2.500E+11 0.51 2620.0 ! ! H + C9H18-6-2 = C9H19-2G 2.500E+11 0.51 2620.0 H + C9H18-7-2 = C9H19-2G 2.500E+11 0.51 2620.0 ! H + C9H18-7-2 = C9H19-2H 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! ! C10H21-2A = C7H15-1 + C3H6 3.68E+15 -0.56 31359 C10H21-2A = CH3 + C9H18-1 9.55E+14 -0.59 30592 ! C10H21-2B = C6H13-1 + IC4H8 1.71E+12 0.31 26610 ! C10H21-2C = C5H11-1 + CC5H10 3.08E+13 0.03 28992 C10H21-2C = CH3 + C9H18-2 1.77E+13 0.11 30542 ! C10H21-2D = IC3H7 + C7H14-1 6.98E+12 0.16 24963 C10H21-2D = PC4H9 + DC6H12 3.08E+13 0.03 28992 ! C10H21-2E = IC4H9 + C6H12-1 6.98E+12 0.16 24963 C10H21-2E = NC3H7 + C7H14-5-2 3.08E+13 0.03 28992 ! C10H21-2F = DC5H11 + C5H10-1 6.98E+12 0.16 24963 C10H21-2F = C2H5 + C8H16-6-2 3.08E+13 0.03 28992 ! ! C10H21-2G = EC6H13 + C4H8-1 6.98E+12 0.16 24963 C10H21-2G = CH3 + C9H18-7-2 9.55E+14 -0.59 30592 ! C10H21-2H = C7H15-2F + C3H6 1.06E+13 0.07 27125 ! C10H21-2I = C8H17-2G + C2H4 2.64E+15 -0.55 31136 ! H + C10H20-1-2 = C10H21-2A 2.500E+11 0.51 2620.0 ! H + C10H20-1-2 = C10H21-2B 4.240E+11 0.51 1230.0 H + C10H20-2-2 = C10H21-2B 2.500E+11 0.51 2620.0 ! H + C10H20-2-2 = C10H21-2C 2.500E+11 0.51 2620.0 H + C10H20-3-2 = C10H21-2C 2.500E+11 0.51 2620.0 ! H + C10H20-3-2 = C10H21-2D 2.500E+11 0.51 2620.0 H + C10H20-4-2 = C10H21-2D 2.500E+11 0.51 2620.0 ! H + C10H20-4-2 = C10H21-2E 2.500E+11 0.51 2620.0 H + C10H20-5-2 = C10H21-2E 2.500E+11 0.51 2620.0 ! H + C10H20-5-2 = C10H21-2F 2.500E+11 0.51 2620.0 H + C10H20-6-2 = C10H21-2F 2.500E+11 0.51 2620.0 ! ! H + C10H20-6-2 = C10H21-2G 2.500E+11 0.51 2620.0 H + C10H20-7-2 = C10H21-2G 2.500E+11 0.51 2620.0 ! H + C10H20-7-2 = C10H21-2H 2.500E+11 0.51 2620.0 H + C10H20-8-2 = C10H21-2H 2.500E+11 0.51 2620.0 ! H + C10H20-8-2 = C10H21-2I 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! C11H23-2A = C8H17-1 + C3H6 3.68E+15 -0.56 31359 C11H23-2A = CH3 + C10H20-1 9.55E+14 -0.59 30592 ! C11H23-2B = C7H15-1 + IC4H8 1.71E+12 0.31 26610 ! C11H23-2C = C6H13-1 + CC5H10 3.08E+13 0.03 28992 C11H23-2C = CH3 + C10H20-2 1.77E+13 0.11 30542 ! C11H23-2D = IC3H7 + C8H16-1 6.98E+12 0.16 24963 C11H23-2D = C5H11-1 + DC6H12 3.08E+13 0.03 28992 ! C11H23-2E = IC4H9 + C7H14-1 6.98E+12 0.16 24963 C11H23-2E = PC4H9 + C7H14-5-2 3.08E+13 0.03 28992 ! C11H23-2F = DC5H11 + C6H12-1 6.98E+12 0.16 24963 C11H23-2F = NC3H7 + C8H16-6-2 3.08E+13 0.03 28992 ! ! C11H23-2G = EC6H13 + C5H10-1 6.98E+12 0.16 24963 C11H23-2G = C2H5 + C9H18-7-2 3.08E+13 0.03 28992 ! C11H23-2H = C7H15-2F + C4H8-1 6.98E+12 0.16 24963 C11H23-2H = CH3 + C10H20-8-2 9.55E+14 -0.59 30592 ! C11H23-2I = C8H17-2G + C3H6 1.06E+13 0.07 27125 ! C11H23-2J = C9H19-2H + C2H4 2.64E+15 -0.55 31136 ! ! ! H + C11H22-1-2 = C11H23-2A 2.500E+11 0.51 2620.0 ! H + C11H22-1-2 = C11H23-2B 4.240E+11 0.51 1230.0 H + C11H22-2-2 = C11H23-2B 2.500E+11 0.51 2620.0 ! H + C11H22-2-2 = C11H23-2C 2.500E+11 0.51 2620.0 H + C11H22-3-2 = C11H23-2C 2.500E+11 0.51 2620.0 ! H + C11H22-3-2 = C11H23-2D 2.500E+11 0.51 2620.0 H + C11H22-4-2 = C11H23-2D 2.500E+11 0.51 2620.0 ! H + C11H22-4-2 = C11H23-2E 2.500E+11 0.51 2620.0 H + C11H22-5-2 = C11H23-2E 2.500E+11 0.51 2620.0 ! H + C11H22-5-2 = C11H23-2F 2.500E+11 0.51 2620.0 H + C11H22-6-2 = C11H23-2F 2.500E+11 0.51 2620.0 ! ! H + C11H22-6-2 = C11H23-2G 2.500E+11 0.51 2620.0 H + C11H22-7-2 = C11H23-2G 2.500E+11 0.51 2620.0 ! H + C11H22-7-2 = C11H23-2H 2.500E+11 0.51 2620.0 H + C11H22-8-2 = C11H23-2H 2.500E+11 0.51 2620.0 ! H + C11H22-8-2 = C11H23-2I 2.500E+11 0.51 2620.0 H + C11H22-9-2 = C11H23-2I 2.500E+11 0.51 2620.0 ! H + C11H22-9-2 = C11H23-2J 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! ! C12H25-2A = C9H19-1 + C3H6 3.68E+15 -0.56 31359 C12H25-2A = CH3 + C11H22-1 9.55E+14 -0.59 30592 ! C12H25-2B = C8H17-1 + IC4H8 1.71E+12 0.31 26610 ! C12H25-2C = C7H15-1 + CC5H10 3.08E+13 0.03 28992 C12H25-2C = CH3 + C11H22-2 1.77E+13 0.11 30542 ! C12H25-2D = IC3H7 + C9H18-1 6.98E+12 0.16 24963 C12H25-2D = C6H13-1 + DC6H12 3.08E+13 0.03 28992 ! C12H25-2E = IC4H9 + C8H16-1 6.98E+12 0.16 24963 C12H25-2E = C5H11-1 + C7H14-5-2 3.08E+13 0.03 28992 ! C12H25-2F = DC5H11 + C7H14-1 6.98E+12 0.16 24963 C12H25-2F = PC4H9 + C8H16-6-2 3.08E+13 0.03 28992 ! ! C12H25-2G = EC6H13 + C6H12-1 6.98E+12 0.16 24963 C12H25-2G = NC3H7 + C9H18-7-2 3.08E+13 0.03 28992 ! C12H25-2H = C7H15-2F + C5H10-1 6.98E+12 0.16 24963 C12H25-2H = C2H5 + C10H20-8-2 3.08E+13 0.03 28992 ! C12H25-2I = C8H17-2G + C4H8-1 6.98E+12 0.16 24963 C12H25-2I = CH3 + C11H22-9-2 9.55E+14 -0.59 30592 ! C12H25-2J = C9H19-2H + C3H6 1.06E+13 0.07 27125 ! C12H25-2K = C10H21-2I + C2H4 2.64E+15 -0.55 31136 ! ! ! ! ! ! ! H + C12H24-1-2 = C12H25-2A 2.500E+11 0.51 2620.0 ! H + C12H24-1-2 = C12H25-2B 4.240E+11 0.51 1230.0 H + C12H24-2-2 = C12H25-2B 2.500E+11 0.51 2620.0 ! H + C12H24-2-2 = C12H25-2C 2.500E+11 0.51 2620.0 H + C12H24-3-2 = C12H25-2C 2.500E+11 0.51 2620.0 ! H + C12H24-3-2 = C12H25-2D 2.500E+11 0.51 2620.0 H + C12H24-4-2 = C12H25-2D 2.500E+11 0.51 2620.0 ! H + C12H24-4-2 = C12H25-2E 2.500E+11 0.51 2620.0 H + C12H24-5-2 = C12H25-2E 2.500E+11 0.51 2620.0 ! H + C12H24-5-2 = C12H25-2F 2.500E+11 0.51 2620.0 H + C12H24-6-2 = C12H25-2F 2.500E+11 0.51 2620.0 ! ! H + C12H24-6-2 = C12H25-2G 2.500E+11 0.51 2620.0 H + C12H24-7-2 = C12H25-2G 2.500E+11 0.51 2620.0 ! H + C12H24-7-2 = C12H25-2H 2.500E+11 0.51 2620.0 H + C12H24-8-2 = C12H25-2H 2.500E+11 0.51 2620.0 ! H + C12H24-8-2 = C12H25-2I 2.500E+11 0.51 2620.0 H + C12H24-9-2 = C12H25-2I 2.500E+11 0.51 2620.0 ! H + C12H24-9-2 = C12H25-2J 2.500E+11 0.51 2620.0 H + C12H24-10-2 = C12H25-2J 2.500E+11 0.51 2620.0 ! H + C12H24-10-2 = C12H25-2K 2.500E+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! CLASS 3 ALKYL RADICAL DECOMPOSITION ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, AND 7 MEMBERED TRANSITION STATE RINGS ONLY ! C7H15-2A = C7H15-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C7H15-2A = C7H15-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C7H15-2A = C7H15-2F 6.69E+02 2.31 1.395E+04 !AWAN 2010 6-5MEJ=1-5MEH, 7M P-P C7H15-2B = C7H15-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C7H15-2B = C7H15-2F 4.86E+01 2.62 1.200E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-P C7H15-2F = C7H15-2C 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6 AND 7 MEMBERED TRANSITION STATE RINGS ! ! C8H17-2A = C8H17-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C8H17-2A = C8H17-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C8H17-2A = C8H17-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C8H17-2B = C8H17-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C8H17-2B = C8H17-2F 4.11E+02 2.42 1.150E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-S C8H17-2B = C8H17-2G 4.05E+00 2.51 1.38E+04 !ESTIMATED BY MANI SARATHY 2010, 7M T-P C8H17-2C = C8H17-2F 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C8H17-2G = C8H17-2C 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C8H17-2G = C8H17-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, 7 MEMBERED TRANSITION STATE RINGS ! C9H19-2A = C9H19-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C9H19-2A = C9H19-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C9H19-2A = C9H19-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C9H19-2B = C9H19-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C9H19-2B = C9H19-2F 4.11E+02 2.42 1.150E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-S C9H19-2B = C9H19-2G 4.50E+00 2.75 1.23E+04 !ESTIMATED BY MANI SARATHY 2010, 7M T-S C9H19-2C = C9H19-2F 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C9H19-2C = C9H19-2G 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C9H19-2H = C9H19-2C 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C9H19-2D = C9H19-2G 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C9H19-2H = C9H19-2D 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C9H19-2H = C9H19-2E 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, 7 MEMBERED TRANSITION STATE RINGS ! C10H21-2A = C10H21-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C10H21-2A = C10H21-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C10H21-2A = C10H21-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C10H21-2B = C10H21-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C10H21-2B = C10H21-2F 4.11E+02 2.42 1.150E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-S C10H21-2B = C10H21-2G 4.50E+00 2.75 1.23E+04 !ESTIMATED BY MANI SARATHY 2010, 7M T-S C10H21-2C = C10H21-2F 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C10H21-2C = C10H21-2G 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C10H21-2C = C10H21-2H 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C10H21-2D = C10H21-2G 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C10H21-2D = C10H21-2H 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C10H21-2I = C10H21-2D 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C10H21-2E = C10H21-2H 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C10H21-2I = C10H21-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C10H21-2I = C10H21-2F 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, 7 MEMBERED TRANSITION STATE RINGS ! C11H23-2A = C11H23-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C11H23-2A = C11H23-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C11H23-2A = C11H23-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C11H23-2B = C11H23-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C11H23-2B = C11H23-2F 4.11E+02 2.42 1.150E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-S C11H23-2B = C11H23-2G 4.50E+00 2.75 1.23E+04 !ESTIMATED BY MANI SARATHY 2010, 7M T-S C11H23-2C = C11H23-2F 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C11H23-2C = C11H23-2G 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C11H23-2C = C11H23-2H 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C11H23-2D = C11H23-2G 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C11H23-2D = C11H23-2H 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C11H23-2D = C11H23-2I 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C11H23-2E = C11H23-2H 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C11H23-2E = C11H23-2I 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C11H23-2J = C11H23-2E 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C11H23-2F = C11H23-2I 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C11H23-2J = C11H23-2F 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C11H23-2J = C11H23-2G 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, 7 MEMBERED TRANSITION STATE RINGS ! C12H25-2A = C12H25-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S C12H25-2A = C12H25-2E 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C12H25-2A = C12H25-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C12H25-2B = C12H25-2E 1.27E+01 3.07 1.744E+04 !AWAN 2010 5-5MEH=2-5MEH, 5M T-S C12H25-2B = C12H25-2F 4.11E+02 2.42 1.150E+04 !AWAN 2010 5-5MEH=1-5MEH, 6M T-S C12H25-2B = C12H25-2G 4.50E+00 2.75 1.23E+04 !ESTIMATED BY MANI SARATHY 2010, 7M T-S C12H25-2C = C12H25-2F 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C12H25-2C = C12H25-2G 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C12H25-2C = C12H25-2H 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C12H25-2D = C12H25-2G 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C12H25-2D = C12H25-2H 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C12H25-2D = C12H25-2I 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C12H25-2E = C12H25-2H 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C12H25-2E = C12H25-2I 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C12H25-2E = C12H25-2J 1.20E+00 3.35 1.40E+04 !ESTIMATED BY MANI SARATHY 2010, 7M S-S C12H25-2F = C12H25-2I 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C12H25-2F = C12H25-2J 1.86E+00 3.27 1.324E+04 !TSANG 2009 2-OCTY=4OCTYL, 6M S-S C12H25-2K = C12H25-2F 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL. 7M P-S C12H25-2G = C12H25-2J 1.42E+00 3.32 1.614E+04 !TSANG 2009 2-OCTY=4OCTYL, 5M S-S C12H25-2K = C12H25-2G 1.82E+02 2.55 1.0960E+04 !TSANG 2007 1-C6H13=2-C6H13 6M P-S C12H25-2K = C12H25-2H 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13 5M P-S ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! CLASS 4 ALKYL RADICAL ISOMERIZATION ! INCLUDE 5, 6, 7 MEMBERED TRANSITION STATE RINGS ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C7H14-1-2 + OH = C7H13-1-2 + H2O 3.280E+08 1.61 -3.500E+01 C7H14-2-2 + OH = C7H13-1-2 + H2O 3.280E+08 1.61 -3.500E+01 C7H14-3-2 + OH = C7H13-1-2 + H2O 3.280E+08 1.61 -3.500E+01 C7H14-4-2 + OH = C7H13-1-2 + H2O 3.280E+08 1.61 -3.500E+01 C7H14-5-2 + OH = C7H13-1-2 + H2O 3.280E+08 1.61 -3.500E+01 ! ! C7H14-1-2 + HO2 = C7H13-1-2 + H2O2 4.420E+02 3.37 1.372E+04 C7H14-2-2 + HO2 = C7H13-1-2 + H2O2 4.420E+02 3.37 1.372E+04 C7H14-3-2 + HO2 = C7H13-1-2 + H2O2 4.420E+02 3.37 1.372E+04 C7H14-4-2 + HO2 = C7H13-1-2 + H2O2 4.420E+02 3.37 1.372E+04 C7H14-5-2 + HO2 = C7H13-1-2 + H2O2 4.420E+02 3.37 1.372E+04 ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C7H14-1-2 + H = C7H13-1-2 + H2 9.100E+06 2.40 4.471E+03 C7H14-2-2 + H = C7H13-1-2 + H2 9.100E+06 2.40 4.471E+03 C7H14-3-2 + H = C7H13-1-2 + H2 9.100E+06 2.40 4.471E+03 C7H14-4-2 + H = C7H13-1-2 + H2 9.100E+06 2.40 4.471E+03 C7H14-5-2 + H = C7H13-1-2 + H2 9.100E+06 2.40 4.471E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C7H14-1-2 + CH3 = C7H13-1-2 + CH4 1.060E+01 3.46 5.481E+03 C7H14-2-2 + CH3 = C7H13-1-2 + CH4 1.060E+01 3.46 5.481E+03 C7H14-3-2 + CH3 = C7H13-1-2 + CH4 1.060E+01 3.46 5.481E+03 C7H14-4-2 + CH3 = C7H13-1-2 + CH4 1.060E+01 3.46 5.481E+03 C7H14-5-2 + CH3 = C7H13-1-2 + CH4 1.060E+01 3.46 5.481E+03 ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C7H14-1-2 + O = C7H13-1-2 + OH 3.860E+06 2.45 2.830E+03 C7H14-2-2 + O = C7H13-1-2 + OH 3.860E+06 2.45 2.830E+03 C7H14-3-2 + O = C7H13-1-2 + OH 3.860E+06 2.45 2.830E+03 C7H14-4-2 + O = C7H13-1-2 + OH 3.860E+06 2.45 2.830E+03 C7H14-5-2 + O = C7H13-1-2 + OH 3.860E+06 2.45 2.830E+03 ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C8H16-1-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 C8H16-2-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 C8H16-3-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 C8H16-4-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 C8H16-5-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 C8H16-6-2 + OH = C8H15-1-2 + H2O 3.740E+08 1.61 -3.500E+01 ! ! C8H16-1-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 C8H16-2-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 C8H16-3-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 C8H16-4-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 C8H16-5-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 C8H16-6-2 + HO2 = C8H15-1-2 + H2O2 5.060E+02 3.37 1.372E+04 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C8H16-1-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 C8H16-2-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 C8H16-3-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 C8H16-4-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 C8H16-5-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 C8H16-6-2 + H = C8H15-1-2 + H2 1.040E+07 2.40 4.471E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C8H16-1-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 C8H16-2-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 C8H16-3-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 C8H16-4-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 C8H16-5-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 C8H16-6-2 + CH3 = C8H15-1-2 + CH4 1.210E+01 3.46 5.481E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C8H16-1-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 C8H16-2-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 C8H16-3-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 C8H16-4-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 C8H16-5-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 C8H16-6-2 + O = C8H15-1-2 + OH 4.420E+06 2.45 2.830E+03 ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C9H17-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C9H18-1-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-2-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-3-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-4-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-5-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-6-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 C9H18-7-2 + OH = C9H17-1-2 + H2O 4.210E+08 1.61 -3.500E+01 ! ! C9H18-1-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-2-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-3-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-4-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-5-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-6-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 C9H18-7-2 + HO2 = C9H17-1-2 + H2O2 5.690E+02 3.37 1.372E+04 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C9H17-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C9H18-1-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-2-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-3-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-4-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-5-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-6-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 C9H18-7-2 + H = C9H17-1-2 + H2 1.170E+07 2.40 4.471E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C9H17-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C9H18-1-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-2-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-3-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-4-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-5-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-6-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 C9H18-7-2 + CH3 = C9H17-1-2 + CH4 1.360E+01 3.46 5.481E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C9H17-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C9H18-1-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-2-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-3-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-4-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-5-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-6-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 C9H18-7-2 + O = C9H17-1-2 + OH 4.970E+06 2.45 2.830E+03 ! ! ! ! ! ! ! 2-METHYNONANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C10H20-1-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-2-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-3-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-4-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-5-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-6-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-7-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 C10H20-8-2 + OH = C10H19-1-2 + H2O 4.680E+08 1.61 -3.500E+01 ! ! C10H20-1-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-2-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-3-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-4-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-5-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-6-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-7-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 C10H20-8-2 + HO2 = C10H19-1-2 + H2O2 6.320E+02 3.37 1.372E+04 ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C10H20-1-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-2-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-3-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-4-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-5-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-6-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-7-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 C10H20-8-2 + H = C10H19-1-2 + H2 1.300E+07 2.40 4.471E+03 ! ! !THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C10H20-1-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-2-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-3-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-4-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-5-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-6-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-7-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 C10H20-8-2 + CH3 = C10H19-1-2 + CH4 1.510E+01 3.46 5.481E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C10H20-1-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-2-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-3-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-4-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-5-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-6-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-7-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 C10H20-8-2 + O = C10H19-1-2 + OH 5.520E+06 2.45 2.830E+03 ! ! ! ! ! ! ! 2-METHYDECANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C11H22-1-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-2-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-3-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-4-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-5-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-6-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-7-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-8-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 C11H22-9-2 + OH = C11H21-1-2 + H2O 5.150E+08 1.61 -3.500E+01 ! ! C11H22-1-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-2-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-3-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-4-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-5-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-6-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-7-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-8-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 C11H22-9-2 + HO2 = C11H21-1-2 + H2O2 6.950E+02 3.37 1.372E+04 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C11H22-1-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-2-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-3-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-4-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-5-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-6-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-7-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-8-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 C11H22-9-2 + H = C11H21-1-2 + H2 1.430E+07 2.40 4.471E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C11H22-1-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-2-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-3-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-4-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-5-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-6-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-7-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-8-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 C11H22-9-2 + CH3 = C11H21-1-2 + CH4 1.660E+01 3.46 5.481E+03 ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C11H22-1-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-2-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-3-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-4-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-5-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-6-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-7-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-8-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 C11H22-9-2 + O = C11H21-1-2 + OH 6.070E+06 2.45 2.830E+03 ! ! ! ! ! ! ! 2-METHYUNDECANE ! ! ! ! ! ! ! ! CLASS 5 ! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C12H24-1-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-2-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-3-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-4-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-5-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-6-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-7-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-8-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-9-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 C12H24-10-2 + OH = C12H23-1-2 + H2O 5.620E+08 1.61 -3.500E+01 ! ! C12H24-1-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-2-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-3-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-4-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-5-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-6-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-7-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-8-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-9-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 C12H24-10-2 + HO2 = C12H23-1-2 + H2O2 7.580E+02 3.37 1.372E+04 ! ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C12H24-1-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-2-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-3-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-4-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-5-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-6-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-7-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-8-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-9-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 C12H24-10-2 + H = C12H23-1-2 + H2 1.560E+07 2.40 4.471E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C12H24-1-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-2-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-3-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-4-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-5-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-6-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-7-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-8-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-9-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 C12H24-10-2 + CH3 = C12H23-1-2 + CH4 1.810E+01 3.46 5.481E+03 ! ! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS C12H24-1-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-2-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-3-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-4-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-5-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-6-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-7-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-8-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-9-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 C12H24-10-2 + O = C12H23-1-2 + OH 6.620E+06 2.45 2.830E+03 ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C7H14-1-2 + OH = CH2O + C6H13-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-1-2 + OH = CH3COCH3 + PC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-2-2 + OH = CH3COCH3 + PC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-3-2 + OH = C2H5CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-4-2 + OH = C2H5CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-4-2 + OH = CH3CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-5-2 + OH = CH3CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C7H14-5-2 + OH = CH2O + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C7H14-1-2 + O = CH2O + C6H12-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-1-2 + O = CH3COCH3 + C4H8-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-2-2 + O = CH3COCH3 + C4H8-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-3-2 + O = C2H5CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-4-2 + O = C2H5CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-4-2 + O = CH3CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-5-2 + O = CH3CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C7H14-5-2 + O = CH2O + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C8H16-1-2 + OH = CH2O + C7H15-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-1-2 + OH = CH3COCH3 + C5H11-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-2-2 + OH = CH3COCH3 + C5H11-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-3-2 + OH = NC3H7CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-4-2 + OH = NC3H7CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-4-2 + OH = C2H5CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-5-2 + OH = C2H5CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-5-2 + OH = CH3CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-6-2 + OH = CH3CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C8H16-6-2 + OH = CH2O + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C8H16-1-2 + O = CH2O + C7H14-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-1-2 + O = CH3COCH3 + C5H10-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-2-2 + O = CH3COCH3 + C5H10-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-3-2 + O = NC3H7CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-4-2 + O = NC3H7CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-4-2 + O = C2H5CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-5-2 + O = C2H5CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-5-2 + O = CH3CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-6-2 + O = CH3CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C8H16-6-2 + O = CH2O + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C9H18-1-2 + OH = CH2O + C8H17-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-1-2 + OH = CH3COCH3 + C6H13-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-2-2 + OH = CH3COCH3 + C6H13-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-3-2 + OH = NC4H9CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-4-2 + OH = NC4H9CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-4-2 + OH = NC3H7CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-5-2 + OH = NC3H7CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-5-2 + OH = C2H5CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-6-2 + OH = C2H5CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-6-2 + OH = CH3CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-7-2 + OH = CH3CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C9H18-7-2 + OH = CH2O + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C9H18-1-2 + O = CH2O + C8H16-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-1-2 + O = CH3COCH3 + C6H12-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-2-2 + O = CH3COCH3 + C6H12-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-3-2 + O = NC4H9CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-4-2 + O = NC4H9CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-4-2 + O = NC3H7CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-5-2 + O = NC3H7CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-5-2 + O = C2H5CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-6-2 + O = C2H5CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-6-2 + O = CH3CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-7-2 + O = CH3CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C9H18-7-2 + O = CH2O + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C10H20-1-2 + OH = CH2O + C9H19-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-1-2 + OH = CH3COCH3 + C7H15-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-2-2 + OH = CH3COCH3 + C7H15-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-3-2 + OH = NC5H11CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-4-2 + OH = NC5H11CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-4-2 + OH = NC4H9CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-5-2 + OH = NC4H9CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-5-2 + OH = NC3H7CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-6-2 + OH = NC3H7CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-6-2 + OH = C2H5CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-7-2 + OH = C2H5CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-7-2 + OH = CH3CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-8-2 + OH = CH3CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C10H20-8-2 + OH = CH2O + C9H19-2H 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C10H20-1-2 + O = CH2O + C9H18-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-1-2 + O = CH3COCH3 + C7H14-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-2-2 + O = CH3COCH3 + C7H14-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-3-2 + O = NC5H11CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-4-2 + O = NC5H11CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-4-2 + O = NC4H9CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-5-2 + O = NC4H9CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-5-2 + O = NC3H7CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-6-2 + O = NC3H7CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-6-2 + O = C2H5CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-7-2 + O = C2H5CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-7-2 + O = CH3CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-8-2 + O = CH3CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C10H20-8-2 + O = CH2O + C9H18-7-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C11H22-1-2 + OH = CH2O + C10H21-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-1-2 + OH = CH3COCH3 + C8H17-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-2-2 + OH = CH3COCH3 + C8H17-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-3-2 + OH = NC6H13CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-4-2 + OH = NC6H13CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-4-2 + OH = NC5H11CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-5-2 + OH = NC5H11CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-5-2 + OH = NC4H9CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-6-2 + OH = NC4H9CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-6-2 + OH = NC3H7CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-7-2 + OH = NC3H7CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-7-2 + OH = C2H5CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-8-2 + OH = C2H5CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-8-2 + OH = CH3CHO + C9H19-2H 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-9-2 + OH = CH3CHO + C9H19-2H 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C11H22-9-2 + OH = CH2O + C10H21-2I 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C11H22-1-2 + O = CH2O + C10H20-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-1-2 + O = CH3COCH3 + C8H16-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-2-2 + O = CH3COCH3 + C8H16-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-3-2 + O = NC6H13CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-4-2 + O = NC6H13CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-4-2 + O = NC5H11CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-5-2 + O = NC5H11CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-5-2 + O = NC4H9CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-6-2 + O = NC4H9CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-6-2 + O = NC3H7CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-7-2 + O = NC3H7CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-7-2 + O = C2H5CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-8-2 + O = C2H5CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-8-2 + O = CH3CHO + C9H18-7-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-9-2 + O = CH3CHO + C9H18-7-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C11H22-9-2 + O = CH2O + C10H20-8-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES ! ! C12H24-1-2 + OH = CH2O + C11H23-2 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-1-2 + OH = CH3COCH3 + C9H19-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-2-2 + OH = CH3COCH3 + C9H19-1 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-3-2 + OH = NC7H15CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-4-2 + OH = NC7H15CHO + IC4H9 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-4-2 + OH = NC6H13CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-5-2 + OH = NC6H13CHO + DC5H11 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-5-2 + OH = NC5H11CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-6-2 + OH = NC5H11CHO + EC6H13 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-6-2 + OH = NC4H9CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-7-2 + OH = NC4H9CHO + C7H15-2F 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-7-2 + OH = NC3H7CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-8-2 + OH = NC3H7CHO + C8H17-2G 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-8-2 + OH = C2H5CHO + C9H19-2H 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-9-2 + OH = C2H5CHO + C9H19-2H 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-9-2 + OH = CH3CHO + C10H21-2I 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-10-2 + OH = CH3CHO + C10H21-2I 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / C12H24-10-2 + OH = CH2O + C11H23-2J 1.00E+11 0.00 -4.00E+03 REV / 0.00 0.00 0.00 / ! C12H24-1-2 + O = CH2O + C11H22-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-1-2 + O = CH3COCH3 + C9H18-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-2-2 + O = CH3COCH3 + C9H18-1 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-3-2 + O = NC7H15CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-4-2 + O = NC7H15CHO + IC4H8 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-4-2 + O = NC6H13CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-5-2 + O = NC6H13CHO + CC5H10 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-5-2 + O = NC5H11CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-6-2 + O = NC5H11CHO + DC6H12 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-6-2 + O = NC4H9CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-7-2 + O = NC4H9CHO + C7H14-5-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-7-2 + O = NC3H7CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-8-2 + O = NC3H7CHO + C8H16-6-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-8-2 + O = C2H5CHO + C9H18-7-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-9-2 + O = C2H5CHO + C9H18-7-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-9-2 + O = CH3CHO + C10H20-8-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-10-2 + O = CH3CHO + C10H20-8-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / C12H24-10-2 + O = CH2O + C11H22-9-2 1.00E+11 0.00 -1.05E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-METHYLHEXANE ! CLASS 7 ! C7H13-1-2+HO2<=>AC3H5CHO+NC3H7 + OH 9.640E+12 0.00 0.000E+00 C7H13-1-2+CH3O2<=>AC3H5CHO+NC3H7+CH3O 9.640E+12 0.00 0.000E+00 C7H13-1-2+C2H5O2<=>AC3H5CHO+NC3H7+C2H5O 9.640E+12 0.00 0.000E+00 ! ! ! 2-METHYLHEPTANE ! CLASS 7 ! C8H15-1-2+HO2<=>AC3H5CHO+PC4H9 + OH 9.640E+12 0.00 0.000E+00 C8H15-1-2+CH3O2<=>AC3H5CHO+PC4H9+CH3O 9.640E+12 0.00 0.000E+00 C8H15-1-2+C2H5O2<=>AC3H5CHO+PC4H9+C2H5O 9.640E+12 0.00 0.000E+00 ! ! 2-METHYLOCTANE ! CLASS 7 ! ! C9H17-1-2+HO2<=>AC3H5CHO+C5H11-1 + OH 9.640E+12 0.00 0.000E+00 C9H17-1-2+CH3O2<=>AC3H5CHO+C5H11-1+CH3O 9.640E+12 0.00 0.000E+00 C9H17-1-2+C2H5O2<=>AC3H5CHO+C5H11-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! 2-METHYLNONANE ! CLASS 7 ! ! C10H19-1-2+HO2<=>AC3H5CHO+C6H13-1 + OH 9.640E+12 0.00 0.000E+00 C10H19-1-2+CH3O2<=>AC3H5CHO+C6H13-1+CH3O 9.640E+12 0.00 0.000E+00 C10H19-1-2+C2H5O2<=>AC3H5CHO+C6H13-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! ! 2-METHYLDECANE ! CLASS 7 ! ! C11H21-1-2+HO2<=>AC3H5CHO+C7H15-1 + OH 9.640E+12 0.00 0.000E+00 C11H21-1-2+CH3O2<=>AC3H5CHO+C7H15-1+CH3O 9.640E+12 0.00 0.000E+00 C11H21-1-2+C2H5O2<=>AC3H5CHO+C7H15-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! ! 2-METHYLUNDECANE ! CLASS 7 ! ! C12H23-1-2+HO2<=>AC3H5CHO+C8H17-1 + OH 9.640E+12 0.00 0.000E+00 C12H23-1-2+CH3O2<=>AC3H5CHO+C8H17-1+CH3O 9.640E+12 0.00 0.000E+00 C12H23-1-2+C2H5O2<=>AC3H5CHO+C8H17-1+C2H5O 9.640E+12 0.00 0.000E+00 ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! ! THE COMPLEXITY OF THIS SECTION IS REDUCED SINCE ONLY ONE GLOBAL ALKENYL RADICAL WAS FORMED IN CLASS 5 (I.E., C7H13-1-2A) C7H13-1-2 = C3H6 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C7H13-1-2 = IC4H8 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C7H13-1-2 = CC5H10 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C7H13-1-2 = C3H5-T + C4H8-1 2.50E+13 0.00 2.500E+04 C7H13-1-2 = IC4H7 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C7H13-1-2 = IC5H9 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! C8H15-1-2 = C3H6 + C5H91-5 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = IC4H8 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = CC5H10 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = DC6H12 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C8H15-1-2 = C3H5-T + C5H10-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = IC4H7 + C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = IC5H9 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C8H15-1-2 = IC6H11 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! C9H17-1-2 = C3H6 + C6H111-6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = IC4H8 + C5H91-5 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = CC5H10 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = DC6H12 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = C7H14-5-2 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C9H17-1-2 = C3H5-T + C6H12-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = IC4H7 + C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = IC5H9 + C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = IC6H11 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C9H17-1-2 = C7H13-1-2 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! C10H19-1-2 = C3H6 + C7H131-7 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = IC4H8 + C6H111-6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = CC5H10 + C5H91-5 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = DC6H12 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = C7H14-5-2 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = C8H16-6-2 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C10H19-1-2 = C3H5-T + C7H14-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = IC4H7 + C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = IC5H9 + C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = IC6H11 + C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = C7H13-1-2 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C10H19-1-2 = C8H15-1-2 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! 2-METHYLDECANE ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! C11H21-1-2 = C3H6 + C8H15 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = IC4H8 + C7H131-7 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = CC5H10 + C6H111-6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = DC6H12 + C5H91-5 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C7H14-5-2 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C8H16-6-2 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C9H18-7-2 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C11H21-1-2 = C3H5-T + C8H16-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = IC4H7 + C7H14-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = IC5H9 + C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = IC6H11 + C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C7H13-1-2 + C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C8H15-1-2 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C11H21-1-2 = C9H17-1-2 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS ! ! C12H23-1-2 = C3H6 + C9H17 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = IC4H8 + C8H15 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = CC5H10 + C7H131-7 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = DC6H12 + C6H111-6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C7H14-5-2 + C5H91-5 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C8H16-6-2 + C4H71-4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C9H18-7-2 + C3H5-A 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C10H20-8-2 + C2H3 2.50E+13 0.00 3.500E+04 REV / 1.000E+11 0.00 9.600E+03 / ! C12H23-1-2 = C3H5-T + C9H18-1 2.50E+13 0.00 2.500E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = IC4H7 + C8H16-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = IC5H9 + C7H14-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = IC6H11 + C6H12-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C7H13-1-2 + C5H10-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C8H15-1-2 + C4H8-1 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C9H17-1-2 + C3H6 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / C12H23-1-2 = C10H19-1-2 + C2H4 2.50E+13 0.00 3.000E+04 REV / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C7H14-1-2 = IC4H7 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C7H14-2-2 = IC5H9 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C7H14-3-2 = IC6H11 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C7H14-4-2 = IC3H7 + C4H71-4 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C7H14-5-2 = IC4H7 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! 2-METHYLHEPTANE ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C8H16-1-2 = IC4H7 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C8H16-2-2 = IC5H9 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C8H16-3-2 = IC6H11 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C8H16-4-2 = C7H13-1-2 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C8H16-4-2 = IC3H7 + C5H91-5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C8H16-5-2 = IC4H7 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C8H16-6-2 = IC5H9 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C9H18-1-2 = IC4H7 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-2-2 = IC5H9 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-3-2 = IC6H11 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-4-2 = C7H13-1-2 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-5-2 = C8H15-1-2 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C9H18-4-2 = IC3H7 + C6H111-6 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-5-2 = IC4H7 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-6-2 = IC5H9 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C9H18-7-2 = IC6H11 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C10H20-1-2 = IC4H7 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-2-2 = IC5H9 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-3-2 = IC6H11 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-4-2 = C7H13-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-5-2 = C8H15-1-2 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-6-2 = C9H17-1-2 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C10H20-4-2 = IC3H7 + C7H131-7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-5-2 = IC4H7 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-6-2 = IC5H9 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-7-2 = IC6H11 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C10H20-8-2 = C7H13-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! ! 2-METHYLDECANE ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C11H22-1-2 = IC4H7 + C7H15-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-2-2 = IC5H9 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-3-2 = IC6H11 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-4-2 = C7H13-1-2 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-5-2 = C8H15-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-6-2 = C9H17-1-2 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-7-2 = C10H19-1-2 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C11H22-4-2 = IC3H7 + C8H15 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-5-2 = IC4H7 + C7H15-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-6-2 = IC5H9 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-7-2 = IC6H11 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-8-2 = C7H13-1-2 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C11H22-9-2 = C8H15-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! CLASS 9 DECOMPOSITION OF ALKENES ! ! C12H24-1-2 = IC4H7 + C8H17-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-2-2 = IC5H9 + C7H15-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-3-2 = IC6H11 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-4-2 = C7H13-1-2 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-5-2 = C8H15-1-2 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-6-2 = C9H17-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-7-2 = C10H19-1-2 + C2H5 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-8-2 = C11H21-1-2 + CH3 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! C12H24-4-2 = IC3H7 + C9H17 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-5-2 = IC4H7 + C8H17-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-6-2 = IC5H9 + C7H15-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-7-2 = IC6H11 + C6H13-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-8-2 = C7H13-1-2 + C5H11-1 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-9-2 = C8H15-1-2 + PC4H9 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / C12H24-10-2 = C9H17-1-2 + NC3H7 2.50E+16 0 71000 REV / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 10 RETROENE REACTIONS ! ! ! ! C7H14-1-2 = C4H8-1 + C3H6 3.98E+12 0 57629 C8H16-1-2 = C5H10-1 + C3H6 3.98E+12 0 57629 C9H18-1-2 = C6H12-1 + C3H6 3.98E+12 0 57629 C10H20-1-2 = C7H14-1 + C3H6 3.98E+12 0 57629 C11H22-1-2 = C8H16-1 + C3H6 3.98E+12 0 57629 C12H24-1-2 = C9H18-1 + C3H6 3.98E+12 0 57629 ! ! C7H14-2-2 = C2H4 + CC5H10 3.98E+12 0 57629 C8H16-2-2 = C3H6 + CC5H10 3.98E+12 0 57629 C9H18-2-2 = C4H8-1 + CC5H10 3.98E+12 0 57629 C10H20-2-2 = C5H10-1 + CC5H10 3.98E+12 0 57629 C11H22-2-2 = C6H12-1 + CC5H10 3.98E+12 0 57629 C12H24-2-2 = C7H14-1 + CC5H10 3.98E+12 0 57629 ! C8H16-3-2 = C2H4 + DC6H12 3.98E+12 0 57629 C9H18-3-2 = C3H6 + DC6H12 3.98E+12 0 57629 C10H20-3-2 = C4H8-1 + DC6H12 3.98E+12 0 57629 C11H22-3-2 = C5H10-1 + DC6H12 3.98E+12 0 57629 C12H24-3-2 = C6H12-1 + DC6H12 3.98E+12 0 57629 ! ! C9H18-4-2 = C2H4 + C7H14-5-2 3.98E+12 0 57629 C10H20-4-2 = C3H6 + C7H14-5-2 3.98E+12 0 57629 C11H22-4-2 = C4H8-1 + C7H14-5-2 3.98E+12 0 57629 C12H24-4-2 = C5H10-1 + C7H14-5-2 3.98E+12 0 57629 ! ! C10H20-5-2 = C2H4 + C8H16-6-2 3.98E+12 0 57629 C11H22-5-2 = C3H6 + C8H16-6-2 3.98E+12 0 57629 C12H24-5-2 = C4H8-1 + C8H16-6-2 3.98E+12 0 57629 ! ! C11H22-6-2 = C2H4 + C9H18-7-2 3.98E+12 0 57629 C12H24-6-2 = C3H6 + C9H18-7-2 3.98E+12 0 57629 ! ! C12H24-7-2 = C2H4 + C10H20-8-2 3.98E+12 0 57629 ! ! ! C7H14-4-2 = C4H8-1 + C3H6 3.98E+12 0 57629 C8H16-4-2 = C5H10-1 + C3H6 3.98E+12 0 57629 C9H18-4-2 = C6H12-1 + C3H6 3.98E+12 0 57629 C10H20-4-2 = C7H14-1 + C3H6 3.98E+12 0 57629 C11H22-4-2 = C8H16-1 + C3H6 3.98E+12 0 57629 C12H24-4-2 = C9H18-1 + C3H6 3.98E+12 0 57629 ! ! C7H14-5-2 = C3H6 + IC4H8 3.98E+12 0 57629 C8H16-5-2 = C4H8-1 + IC4H8 3.98E+12 0 57629 C9H18-5-2 = C5H10-1 + IC4H8 3.98E+12 0 57629 C10H20-5-2 = C6H12-1 + IC4H8 3.98E+12 0 57629 C11H22-5-2 = C7H14-1 + IC4H8 3.98E+12 0 57629 C12H24-5-2 = C8H16-1 + IC4H8 3.98E+12 0 57629 ! ! ! C8H16-6-2 = C3H6 + CC5H10 3.98E+12 0 57629 C9H18-6-2 = C4H8-1 + CC5H10 3.98E+12 0 57629 C10H20-6-2 = C5H10-1 + CC5H10 3.98E+12 0 57629 C11H22-6-2 = C6H12-1 + CC5H10 3.98E+12 0 57629 C12H24-6-2 = C7H14-1 + CC5H10 3.98E+12 0 57629 ! ! C9H18-7-2 = C3H6 + DC6H12 3.98E+12 0 57629 C10H20-7-2 = C4H8-1 + DC6H12 3.98E+12 0 57629 C11H22-7-2 = C5H10-1 + DC6H12 3.98E+12 0 57629 C12H24-7-2 = C6H12-1 + DC6H12 3.98E+12 0 57629 ! C10H20-8-2 = C3H6 + C7H14-5-2 3.98E+12 0 57629 C11H22-8-2 = C4H8-1 + C7H14-5-2 3.98E+12 0 57629 C12H24-8-2 = C5H10-1 + C7H14-5-2 3.98E+12 0 57629 ! ! C11H22-9-2 = C3H6 + C8H16-6-2 3.98E+12 0 57629 C12H24-9-2 = C4H8-1 + C8H16-6-2 3.98E+12 0 57629 ! ! C12H24-10-2 = C3H6 + C9H18-7-2 3.98E+12 0 57629 ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C7H15-2A + O2 = C7H15OO-1-2 4.52E+12 0 0 C7H15-2B + O2 = C7H15OO-2-2 1.41E+13 0 0 C7H15-2C + O2 = C7H15OO-3-2 7.54E+12 0 0 C7H15-2D + O2 = C7H15OO-4-2 7.54E+12 0 0 C7H15-2E + O2 = C7H15OO-5-2 7.54E+12 0 0 C7H15-2F + O2 = C7H15OO-6-2 4.52E+12 0 0 ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C8H17-2A + O2 = C8H17OO-1-2 4.52E+12 0 0 C8H17-2B + O2 = C8H17OO-2-2 1.41E+13 0 0 C8H17-2C + O2 = C8H17OO-3-2 7.54E+12 0 0 C8H17-2D + O2 = C8H17OO-4-2 7.54E+12 0 0 C8H17-2E + O2 = C8H17OO-5-2 7.54E+12 0 0 C8H17-2F + O2 = C8H17OO-6-2 7.54E+12 0 0 C8H17-2G + O2 = C8H17OO-7-2 4.52E+12 0 0 ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C9H19-2A + O2 = C9H19OO-1-2 4.52E+12 0 0 C9H19-2B + O2 = C9H19OO-2-2 1.41E+13 0 0 C9H19-2C + O2 = C9H19OO-3-2 7.54E+12 0 0 C9H19-2D + O2 = C9H19OO-4-2 7.54E+12 0 0 C9H19-2E + O2 = C9H19OO-5-2 7.54E+12 0 0 C9H19-2F + O2 = C9H19OO-6-2 7.54E+12 0 0 C9H19-2G + O2 = C9H19OO-7-2 7.54E+12 0 0 C9H19-2H + O2 = C9H19OO-8-2 4.52E+12 0 0 ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C10H21-2A + O2 = C10H21OO-1-2 4.52E+12 0 0 C10H21-2B + O2 = C10H21OO-2-2 1.41E+13 0 0 C10H21-2C + O2 = C10H21OO-3-2 7.54E+12 0 0 C10H21-2D + O2 = C10H21OO-4-2 7.54E+12 0 0 C10H21-2E + O2 = C10H21OO-5-2 7.54E+12 0 0 C10H21-2F + O2 = C10H21OO-6-2 7.54E+12 0 0 C10H21-2G + O2 = C10H21OO-7-2 7.54E+12 0 0 C10H21-2H + O2 = C10H21OO-8-2 7.54E+12 0 0 C10H21-2I + O2 = C10H21OO-9-2 4.52E+12 0 0 !! ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C11H23-2A + O2 = C11H23OO-1-2 4.52E+12 0 0 C11H23-2B + O2 = C11H23OO-2-2 1.41E+13 0 0 C11H23-2C + O2 = C11H23OO-3-2 7.54E+12 0 0 C11H23-2D + O2 = C11H23OO-4-2 7.54E+12 0 0 C11H23-2E + O2 = C11H23OO-5-2 7.54E+12 0 0 C11H23-2F + O2 = C11H23OO-6-2 7.54E+12 0 0 C11H23-2G + O2 = C11H23OO-7-2 7.54E+12 0 0 C11H23-2H + O2 = C11H23OO-8-2 7.54E+12 0 0 C11H23-2I + O2 = C11H23OO-9-2 7.54E+12 0 0 C11H23-2J + O2 = C11H23OO-10-2 4.52E+12 0 0 ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! ! ! CLASS 11 ADDITION OF O2 TO ALKYL ! ! C12H25-2A + O2 = C12H25OO-1-2 4.52E+12 0 0 C12H25-2B + O2 = C12H25OO-2-2 1.41E+13 0 0 C12H25-2C + O2 = C12H25OO-3-2 7.54E+12 0 0 C12H25-2D + O2 = C12H25OO-4-2 7.54E+12 0 0 C12H25-2E + O2 = C12H25OO-5-2 7.54E+12 0 0 C12H25-2F + O2 = C12H25OO-6-2 7.54E+12 0 0 C12H25-2G + O2 = C12H25OO-7-2 7.54E+12 0 0 C12H25-2H + O2 = C12H25OO-8-2 7.54E+12 0 0 C12H25-2I + O2 = C12H25OO-9-2 7.54E+12 0 0 C12H25-2J + O2 = C12H25OO-10-2 7.54E+12 0 0 C12H25-2K + O2 = C12H25OO-11-2 4.52E+12 0 0 ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! C7H15-2A + C7H15OO-1-2 = C7H15O-1-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2A + C7H15OO-2-2 = C7H15O-1-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2A + C7H15OO-3-2 = C7H15O-1-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2A + C7H15OO-4-2 = C7H15O-1-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2A + C7H15OO-5-2 = C7H15O-1-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2A + C7H15OO-6-2 = C7H15O-1-2 + C7H15O-6-2 7.00E+12 0 -1000 ! ! C7H15-2B + C7H15OO-1-2 = C7H15O-2-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2B + C7H15OO-2-2 = C7H15O-2-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2B + C7H15OO-3-2 = C7H15O-2-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2B + C7H15OO-4-2 = C7H15O-2-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2B + C7H15OO-5-2 = C7H15O-2-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2B + C7H15OO-6-2 = C7H15O-2-2 + C7H15O-6-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-1-2 = C7H15O-3-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-2-2 = C7H15O-3-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-3-2 = C7H15O-3-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-4-2 = C7H15O-3-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-5-2 = C7H15O-3-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2C + C7H15OO-6-2 = C7H15O-3-2 + C7H15O-6-2 7.00E+12 0 -1000 ! C7H15-2D + C7H15OO-1-2 = C7H15O-4-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2D + C7H15OO-2-2 = C7H15O-4-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2D + C7H15OO-3-2 = C7H15O-4-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2D + C7H15OO-4-2 = C7H15O-4-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2D + C7H15OO-5-2 = C7H15O-4-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2D + C7H15OO-6-2 = C7H15O-4-2 + C7H15O-6-2 7.00E+12 0 -1000 ! ! C7H15-2E + C7H15OO-1-2 = C7H15O-5-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2E + C7H15OO-2-2 = C7H15O-5-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2E + C7H15OO-3-2 = C7H15O-5-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2E + C7H15OO-4-2 = C7H15O-5-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2E + C7H15OO-5-2 = C7H15O-5-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2E + C7H15OO-6-2 = C7H15O-5-2 + C7H15O-6-2 7.00E+12 0 -1000 ! ! C7H15-2F + C7H15OO-1-2 = C7H15O-6-2 + C7H15O-1-2 7.00E+12 0 -1000 C7H15-2F + C7H15OO-2-2 = C7H15O-6-2 + C7H15O-2-2 7.00E+12 0 -1000 C7H15-2F + C7H15OO-3-2 = C7H15O-6-2 + C7H15O-3-2 7.00E+12 0 -1000 C7H15-2F + C7H15OO-4-2 = C7H15O-6-2 + C7H15O-4-2 7.00E+12 0 -1000 C7H15-2F + C7H15OO-5-2 = C7H15O-6-2 + C7H15O-5-2 7.00E+12 0 -1000 C7H15-2F + C7H15OO-6-2 = C7H15O-6-2 + C7H15O-6-2 7.00E+12 0 -1000 ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! C8H17-2A + C8H17OO-1-2 = C8H17O-1-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-2-2 = C8H17O-1-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-3-2 = C8H17O-1-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-4-2 = C8H17O-1-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-5-2 = C8H17O-1-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-6-2 = C8H17O-1-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2A + C8H17OO-7-2 = C8H17O-1-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2B + C8H17OO-1-2 = C8H17O-2-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-2-2 = C8H17O-2-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-3-2 = C8H17O-2-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-4-2 = C8H17O-2-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-5-2 = C8H17O-2-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-6-2 = C8H17O-2-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2B + C8H17OO-7-2 = C8H17O-2-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2C + C8H17OO-1-2 = C8H17O-3-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-2-2 = C8H17O-3-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-3-2 = C8H17O-3-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-4-2 = C8H17O-3-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-5-2 = C8H17O-3-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-6-2 = C8H17O-3-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2C + C8H17OO-7-2 = C8H17O-3-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2D + C8H17OO-1-2 = C8H17O-4-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-2-2 = C8H17O-4-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-3-2 = C8H17O-4-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-4-2 = C8H17O-4-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-5-2 = C8H17O-4-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-6-2 = C8H17O-4-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2D + C8H17OO-7-2 = C8H17O-4-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2E + C8H17OO-1-2 = C8H17O-5-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-2-2 = C8H17O-5-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-3-2 = C8H17O-5-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-4-2 = C8H17O-5-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-5-2 = C8H17O-5-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-6-2 = C8H17O-5-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2E + C8H17OO-7-2 = C8H17O-5-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2F + C8H17OO-1-2 = C8H17O-6-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-2-2 = C8H17O-6-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-3-2 = C8H17O-6-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-4-2 = C8H17O-6-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-5-2 = C8H17O-6-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-6-2 = C8H17O-6-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2F + C8H17OO-7-2 = C8H17O-6-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! C8H17-2G + C8H17OO-1-2 = C8H17O-7-2 + C8H17O-1-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-2-2 = C8H17O-7-2 + C8H17O-2-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-3-2 = C8H17O-7-2 + C8H17O-3-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-4-2 = C8H17O-7-2 + C8H17O-4-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-5-2 = C8H17O-7-2 + C8H17O-5-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-6-2 = C8H17O-7-2 + C8H17O-6-2 7.00E+12 0 -1000 C8H17-2G + C8H17OO-7-2 = C8H17O-7-2 + C8H17O-7-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! C9H19-2A + C9H19OO-1-2 = C9H19O-1-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-2-2 = C9H19O-1-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-3-2 = C9H19O-1-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-4-2 = C9H19O-1-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-5-2 = C9H19O-1-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-6-2 = C9H19O-1-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-7-2 = C9H19O-1-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2A + C9H19OO-8-2 = C9H19O-1-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2B + C9H19OO-1-2 = C9H19O-2-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-2-2 = C9H19O-2-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-3-2 = C9H19O-2-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-4-2 = C9H19O-2-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-5-2 = C9H19O-2-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-6-2 = C9H19O-2-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-7-2 = C9H19O-2-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2B + C9H19OO-8-2 = C9H19O-2-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2C + C9H19OO-1-2 = C9H19O-3-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-2-2 = C9H19O-3-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-3-2 = C9H19O-3-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-4-2 = C9H19O-3-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-5-2 = C9H19O-3-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-6-2 = C9H19O-3-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-7-2 = C9H19O-3-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2C + C9H19OO-8-2 = C9H19O-3-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2D + C9H19OO-1-2 = C9H19O-4-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-2-2 = C9H19O-4-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-3-2 = C9H19O-4-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-4-2 = C9H19O-4-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-5-2 = C9H19O-4-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-6-2 = C9H19O-4-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-7-2 = C9H19O-4-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2D + C9H19OO-8-2 = C9H19O-4-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2E + C9H19OO-1-2 = C9H19O-5-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-2-2 = C9H19O-5-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-3-2 = C9H19O-5-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-4-2 = C9H19O-5-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-5-2 = C9H19O-5-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-6-2 = C9H19O-5-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-7-2 = C9H19O-5-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2E + C9H19OO-8-2 = C9H19O-5-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2F + C9H19OO-1-2 = C9H19O-6-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-2-2 = C9H19O-6-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-3-2 = C9H19O-6-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-4-2 = C9H19O-6-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-5-2 = C9H19O-6-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-6-2 = C9H19O-6-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-7-2 = C9H19O-6-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2F + C9H19OO-8-2 = C9H19O-6-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2G + C9H19OO-1-2 = C9H19O-7-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-2-2 = C9H19O-7-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-3-2 = C9H19O-7-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-4-2 = C9H19O-7-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-5-2 = C9H19O-7-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-6-2 = C9H19O-7-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-7-2 = C9H19O-7-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2G + C9H19OO-8-2 = C9H19O-7-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! ! ! ! ! C9H19-2H + C9H19OO-1-2 = C9H19O-8-2 + C9H19O-1-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-2-2 = C9H19O-8-2 + C9H19O-2-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-3-2 = C9H19O-8-2 + C9H19O-3-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-4-2 = C9H19O-8-2 + C9H19O-4-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-5-2 = C9H19O-8-2 + C9H19O-5-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-6-2 = C9H19O-8-2 + C9H19O-6-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-7-2 = C9H19O-8-2 + C9H19O-7-2 7.00E+12 0 -1000 C9H19-2H + C9H19OO-8-2 = C9H19O-8-2 + C9H19O-8-2 7.00E+12 0 -1000 ! ! 2-METHYLNONANE ! ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! ! C10H21-2A + C10H21OO-1-2 = C10H21O-1-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-2-2 = C10H21O-1-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-3-2 = C10H21O-1-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-4-2 = C10H21O-1-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-5-2 = C10H21O-1-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-6-2 = C10H21O-1-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-7-2 = C10H21O-1-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-8-2 = C10H21O-1-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2A + C10H21OO-9-2 = C10H21O-1-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2B + C10H21OO-1-2 = C10H21O-2-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-2-2 = C10H21O-2-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-3-2 = C10H21O-2-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-4-2 = C10H21O-2-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-5-2 = C10H21O-2-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-6-2 = C10H21O-2-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-7-2 = C10H21O-2-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-8-2 = C10H21O-2-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2B + C10H21OO-9-2 = C10H21O-2-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2C + C10H21OO-1-2 = C10H21O-3-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-2-2 = C10H21O-3-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-3-2 = C10H21O-3-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-4-2 = C10H21O-3-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-5-2 = C10H21O-3-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-6-2 = C10H21O-3-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-7-2 = C10H21O-3-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-8-2 = C10H21O-3-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2C + C10H21OO-9-2 = C10H21O-3-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2D + C10H21OO-1-2 = C10H21O-4-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-2-2 = C10H21O-4-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-3-2 = C10H21O-4-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-4-2 = C10H21O-4-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-5-2 = C10H21O-4-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-6-2 = C10H21O-4-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-7-2 = C10H21O-4-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-8-2 = C10H21O-4-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2D + C10H21OO-9-2 = C10H21O-4-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2E + C10H21OO-1-2 = C10H21O-5-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-2-2 = C10H21O-5-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-3-2 = C10H21O-5-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-4-2 = C10H21O-5-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-5-2 = C10H21O-5-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-6-2 = C10H21O-5-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-7-2 = C10H21O-5-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-8-2 = C10H21O-5-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2E + C10H21OO-9-2 = C10H21O-5-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2F + C10H21OO-1-2 = C10H21O-6-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-2-2 = C10H21O-6-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-3-2 = C10H21O-6-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-4-2 = C10H21O-6-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-5-2 = C10H21O-6-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-6-2 = C10H21O-6-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-7-2 = C10H21O-6-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-8-2 = C10H21O-6-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2F + C10H21OO-9-2 = C10H21O-6-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2H + C10H21OO-1-2 = C10H21O-7-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-2-2 = C10H21O-7-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-3-2 = C10H21O-7-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-4-2 = C10H21O-7-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-5-2 = C10H21O-7-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-6-2 = C10H21O-7-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-7-2 = C10H21O-7-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-8-2 = C10H21O-7-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2H + C10H21OO-9-2 = C10H21O-7-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! C10H21-2I + C10H21OO-1-2 = C10H21O-8-2 + C10H21O-1-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-2-2 = C10H21O-8-2 + C10H21O-2-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-3-2 = C10H21O-8-2 + C10H21O-3-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-4-2 = C10H21O-8-2 + C10H21O-4-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-5-2 = C10H21O-8-2 + C10H21O-5-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-6-2 = C10H21O-8-2 + C10H21O-6-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-7-2 = C10H21O-8-2 + C10H21O-7-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-8-2 = C10H21O-8-2 + C10H21O-8-2 7.00E+12 0 -1000 C10H21-2I + C10H21OO-9-2 = C10H21O-8-2 + C10H21O-9-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! C11H23-2A + C11H23OO-1-2 = C11H23O-1-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-2-2 = C11H23O-1-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-3-2 = C11H23O-1-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-4-2 = C11H23O-1-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-5-2 = C11H23O-1-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-6-2 = C11H23O-1-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-7-2 = C11H23O-1-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-8-2 = C11H23O-1-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-9-2 = C11H23O-1-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2A + C11H23OO-10-2 = C11H23O-1-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2B + C11H23OO-1-2 = C11H23O-2-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-2-2 = C11H23O-2-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-3-2 = C11H23O-2-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-4-2 = C11H23O-2-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-5-2 = C11H23O-2-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-6-2 = C11H23O-2-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-7-2 = C11H23O-2-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-8-2 = C11H23O-2-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-9-2 = C11H23O-2-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2B + C11H23OO-10-2 = C11H23O-2-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2C + C11H23OO-1-2 = C11H23O-3-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-2-2 = C11H23O-3-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-3-2 = C11H23O-3-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-4-2 = C11H23O-3-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-5-2 = C11H23O-3-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-6-2 = C11H23O-3-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-7-2 = C11H23O-3-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-8-2 = C11H23O-3-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-9-2 = C11H23O-3-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2C + C11H23OO-10-2 = C11H23O-3-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2D + C11H23OO-1-2 = C11H23O-4-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-2-2 = C11H23O-4-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-3-2 = C11H23O-4-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-4-2 = C11H23O-4-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-5-2 = C11H23O-4-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-6-2 = C11H23O-4-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-7-2 = C11H23O-4-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-8-2 = C11H23O-4-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-9-2 = C11H23O-4-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2D + C11H23OO-10-2 = C11H23O-4-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2E + C11H23OO-1-2 = C11H23O-5-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-2-2 = C11H23O-5-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-3-2 = C11H23O-5-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-4-2 = C11H23O-5-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-5-2 = C11H23O-5-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-6-2 = C11H23O-5-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-7-2 = C11H23O-5-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-8-2 = C11H23O-5-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-9-2 = C11H23O-5-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2E + C11H23OO-10-2 = C11H23O-5-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2F + C11H23OO-1-2 = C11H23O-6-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-2-2 = C11H23O-6-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-3-2 = C11H23O-6-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-4-2 = C11H23O-6-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-5-2 = C11H23O-6-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-6-2 = C11H23O-6-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-7-2 = C11H23O-6-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-8-2 = C11H23O-6-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-9-2 = C11H23O-6-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2F + C11H23OO-10-2 = C11H23O-6-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2G + C11H23OO-1-2 = C11H23O-7-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-2-2 = C11H23O-7-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-3-2 = C11H23O-7-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-4-2 = C11H23O-7-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-5-2 = C11H23O-7-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-6-2 = C11H23O-7-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-7-2 = C11H23O-7-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-8-2 = C11H23O-7-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-9-2 = C11H23O-7-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2G + C11H23OO-10-2 = C11H23O-7-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2H + C11H23OO-1-2 = C11H23O-8-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-2-2 = C11H23O-8-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-3-2 = C11H23O-8-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-4-2 = C11H23O-8-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-5-2 = C11H23O-8-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-6-2 = C11H23O-8-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-7-2 = C11H23O-8-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-8-2 = C11H23O-8-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-9-2 = C11H23O-8-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2H + C11H23OO-10-2 = C11H23O-8-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2I + C11H23OO-1-2 = C11H23O-9-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-2-2 = C11H23O-9-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-3-2 = C11H23O-9-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-4-2 = C11H23O-9-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-5-2 = C11H23O-9-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-6-2 = C11H23O-9-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-7-2 = C11H23O-9-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-8-2 = C11H23O-9-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-9-2 = C11H23O-9-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2I + C11H23OO-10-2 = C11H23O-9-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! C11H23-2J + C11H23OO-1-2 = C11H23O-10-2 + C11H23O-1-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-2-2 = C11H23O-10-2 + C11H23O-2-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-3-2 = C11H23O-10-2 + C11H23O-3-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-4-2 = C11H23O-10-2 + C11H23O-4-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-5-2 = C11H23O-10-2 + C11H23O-5-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-6-2 = C11H23O-10-2 + C11H23O-6-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-7-2 = C11H23O-10-2 + C11H23O-7-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-8-2 = C11H23O-10-2 + C11H23O-8-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-9-2 = C11H23O-10-2 + C11H23O-9-2 7.00E+12 0 -1000 C11H23-2J + C11H23OO-10-2 = C11H23O-10-2 + C11H23O-10-2 7.00E+12 0 -1000 ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! CLASS 12 R. + R'OO. = RO. + R'O. ! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO RO MOLECULES. ! ! ! ! ! C12H25-2A + C12H25OO-1-2 = C12H25O-1-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-2-2 = C12H25O-1-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-3-2 = C12H25O-1-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-4-2 = C12H25O-1-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-5-2 = C12H25O-1-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-6-2 = C12H25O-1-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-7-2 = C12H25O-1-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-8-2 = C12H25O-1-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-9-2 = C12H25O-1-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-10-2 = C12H25O-1-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2A + C12H25OO-11-2 = C12H25O-1-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2B + C12H25OO-1-2 = C12H25O-2-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-2-2 = C12H25O-2-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-3-2 = C12H25O-2-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-4-2 = C12H25O-2-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-5-2 = C12H25O-2-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-6-2 = C12H25O-2-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-7-2 = C12H25O-2-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-8-2 = C12H25O-2-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-9-2 = C12H25O-2-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-10-2 = C12H25O-2-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2B + C12H25OO-11-2 = C12H25O-2-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2C + C12H25OO-1-2 = C12H25O-3-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-2-2 = C12H25O-3-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-3-2 = C12H25O-3-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-4-2 = C12H25O-3-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-5-2 = C12H25O-3-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-6-2 = C12H25O-3-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-7-2 = C12H25O-3-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-8-2 = C12H25O-3-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-9-2 = C12H25O-3-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-10-2 = C12H25O-3-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2C + C12H25OO-11-2 = C12H25O-3-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2D + C12H25OO-1-2 = C12H25O-4-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-2-2 = C12H25O-4-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-3-2 = C12H25O-4-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-4-2 = C12H25O-4-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-5-2 = C12H25O-4-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-6-2 = C12H25O-4-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-7-2 = C12H25O-4-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-8-2 = C12H25O-4-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-9-2 = C12H25O-4-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-10-2 = C12H25O-4-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2D + C12H25OO-11-2 = C12H25O-4-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2E + C12H25OO-1-2 = C12H25O-5-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-2-2 = C12H25O-5-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-3-2 = C12H25O-5-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-4-2 = C12H25O-5-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-5-2 = C12H25O-5-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-6-2 = C12H25O-5-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-7-2 = C12H25O-5-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-8-2 = C12H25O-5-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-9-2 = C12H25O-5-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-10-2 = C12H25O-5-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2E + C12H25OO-11-2 = C12H25O-5-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2F + C12H25OO-1-2 = C12H25O-6-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-2-2 = C12H25O-6-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-3-2 = C12H25O-6-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-4-2 = C12H25O-6-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-5-2 = C12H25O-6-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-6-2 = C12H25O-6-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-7-2 = C12H25O-6-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-8-2 = C12H25O-6-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-9-2 = C12H25O-6-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-10-2 = C12H25O-6-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2F + C12H25OO-11-2 = C12H25O-6-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2G + C12H25OO-1-2 = C12H25O-7-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-2-2 = C12H25O-7-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-3-2 = C12H25O-7-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-4-2 = C12H25O-7-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-5-2 = C12H25O-7-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-6-2 = C12H25O-7-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-7-2 = C12H25O-7-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-8-2 = C12H25O-7-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-9-2 = C12H25O-7-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-10-2 = C12H25O-7-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2G + C12H25OO-11-2 = C12H25O-7-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2H + C12H25OO-1-2 = C12H25O-8-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-2-2 = C12H25O-8-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-3-2 = C12H25O-8-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-4-2 = C12H25O-8-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-5-2 = C12H25O-8-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-6-2 = C12H25O-8-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-7-2 = C12H25O-8-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-8-2 = C12H25O-8-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-9-2 = C12H25O-8-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-10-2 = C12H25O-8-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2H + C12H25OO-11-2 = C12H25O-8-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2I + C12H25OO-1-2 = C12H25O-9-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-2-2 = C12H25O-9-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-3-2 = C12H25O-9-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-4-2 = C12H25O-9-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-5-2 = C12H25O-9-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-6-2 = C12H25O-9-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-7-2 = C12H25O-9-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-8-2 = C12H25O-9-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-9-2 = C12H25O-9-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-10-2 = C12H25O-9-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2I + C12H25OO-11-2 = C12H25O-9-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2J + C12H25OO-1-2 = C12H25O-10-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-2-2 = C12H25O-10-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-3-2 = C12H25O-10-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-4-2 = C12H25O-10-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-5-2 = C12H25O-10-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-6-2 = C12H25O-10-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-7-2 = C12H25O-10-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-8-2 = C12H25O-10-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-9-2 = C12H25O-10-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-10-2 = C12H25O-10-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2J + C12H25OO-11-2 = C12H25O-10-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! C12H25-2K + C12H25OO-1-2 = C12H25O-11-2 + C12H25O-1-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-2-2 = C12H25O-11-2 + C12H25O-2-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-3-2 = C12H25O-11-2 + C12H25O-3-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-4-2 = C12H25O-11-2 + C12H25O-4-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-5-2 = C12H25O-11-2 + C12H25O-5-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-6-2 = C12H25O-11-2 + C12H25O-6-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-7-2 = C12H25O-11-2 + C12H25O-7-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-8-2 = C12H25O-11-2 + C12H25O-8-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-9-2 = C12H25O-11-2 + C12H25O-9-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-10-2 = C12H25O-11-2 + C12H25O-10-2 7.00E+12 0 -1000 C12H25-2K + C12H25OO-11-2 = C12H25O-11-2 + C12H25O-11-2 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 13 R. + HOO. = RO. + OH. ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C7H15-2A + HO2 = C7H15O-1-2 + OH 7.00E+12 0 -1000 C7H15-2B + HO2 = C7H15O-2-2 + OH 7.00E+12 0 -1000 C7H15-2C + HO2 = C7H15O-3-2 + OH 7.00E+12 0 -1000 C7H15-2D + HO2 = C7H15O-4-2 + OH 7.00E+12 0 -1000 C7H15-2E + HO2 = C7H15O-5-2 + OH 7.00E+12 0 -1000 C7H15-2F + HO2 = C7H15O-6-2 + OH 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C8H17-2A + HO2 = C8H17O-1-2 + OH 7.00E+12 0 -1000 C8H17-2B + HO2 = C8H17O-2-2 + OH 7.00E+12 0 -1000 C8H17-2C + HO2 = C8H17O-3-2 + OH 7.00E+12 0 -1000 C8H17-2D + HO2 = C8H17O-4-2 + OH 7.00E+12 0 -1000 C8H17-2E + HO2 = C8H17O-5-2 + OH 7.00E+12 0 -1000 C8H17-2F + HO2 = C8H17O-6-2 + OH 7.00E+12 0 -1000 C8H17-2G + HO2 = C8H17O-7-2 + OH 7.00E+12 0 -1000 ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! CLASS 13 R. + HOO. = RO. + OH. ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C9H19-2A + HO2 = C9H19O-1-2 + OH 7.00E+12 0 -1000 C9H19-2B + HO2 = C9H19O-2-2 + OH 7.00E+12 0 -1000 C9H19-2C + HO2 = C9H19O-3-2 + OH 7.00E+12 0 -1000 C9H19-2D + HO2 = C9H19O-4-2 + OH 7.00E+12 0 -1000 C9H19-2E + HO2 = C9H19O-5-2 + OH 7.00E+12 0 -1000 C9H19-2F + HO2 = C9H19O-6-2 + OH 7.00E+12 0 -1000 C9H19-2G + HO2 = C9H19O-7-2 + OH 7.00E+12 0 -1000 C9H19-2H + HO2 = C9H19O-8-2 + OH 7.00E+12 0 -1000 ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 13 R. + HOO. = RO. + OH. ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C10H21-2A + HO2 = C10H21O-1-2 + OH 7.00E+12 0 -1000 C10H21-2B + HO2 = C10H21O-2-2 + OH 7.00E+12 0 -1000 C10H21-2C + HO2 = C10H21O-3-2 + OH 7.00E+12 0 -1000 C10H21-2D + HO2 = C10H21O-4-2 + OH 7.00E+12 0 -1000 C10H21-2E + HO2 = C10H21O-5-2 + OH 7.00E+12 0 -1000 C10H21-2F + HO2 = C10H21O-6-2 + OH 7.00E+12 0 -1000 C10H21-2G + HO2 = C10H21O-7-2 + OH 7.00E+12 0 -1000 C10H21-2H + HO2 = C10H21O-8-2 + OH 7.00E+12 0 -1000 C10H21-2I + HO2 = C10H21O-9-2 + OH 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 13 R. + HOO. = RO. + OH. ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C11H23-2A + HO2 = C11H23O-1-2 + OH 7.00E+12 0 -1000 C11H23-2B + HO2 = C11H23O-2-2 + OH 7.00E+12 0 -1000 C11H23-2C + HO2 = C11H23O-3-2 + OH 7.00E+12 0 -1000 C11H23-2D + HO2 = C11H23O-4-2 + OH 7.00E+12 0 -1000 C11H23-2E + HO2 = C11H23O-5-2 + OH 7.00E+12 0 -1000 C11H23-2F + HO2 = C11H23O-6-2 + OH 7.00E+12 0 -1000 C11H23-2G + HO2 = C11H23O-7-2 + OH 7.00E+12 0 -1000 C11H23-2H + HO2 = C11H23O-8-2 + OH 7.00E+12 0 -1000 C11H23-2I + HO2 = C11H23O-9-2 + OH 7.00E+12 0 -1000 C11H23-2J + HO2 = C11H23O-10-2 + OH 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! CLASS 13 R. + HOO. = RO. + OH. ! ADDITION OF ALKYL RADICAL (R.) WITH HYDROPEROXY RADICAL (HOO.) TO FORM RO AND OH. ! ! ! ! ! C12H25-2A + HO2 = C12H25O-1-2 + OH 7.00E+12 0 -1000 C12H25-2B + HO2 = C12H25O-2-2 + OH 7.00E+12 0 -1000 C12H25-2C + HO2 = C12H25O-3-2 + OH 7.00E+12 0 -1000 C12H25-2D + HO2 = C12H25O-4-2 + OH 7.00E+12 0 -1000 C12H25-2E + HO2 = C12H25O-5-2 + OH 7.00E+12 0 -1000 C12H25-2F + HO2 = C12H25O-6-2 + OH 7.00E+12 0 -1000 C12H25-2G + HO2 = C12H25O-7-2 + OH 7.00E+12 0 -1000 C12H25-2H + HO2 = C12H25O-8-2 + OH 7.00E+12 0 -1000 C12H25-2I + HO2 = C12H25O-9-2 + OH 7.00E+12 0 -1000 C12H25-2J + HO2 = C12H25O-10-2 + OH 7.00E+12 0 -1000 C12H25-2K + HO2 = C12H25O-11-2 + OH 7.00E+12 0 -1000 ! ! ! ! CLASS 14 ! ! ! ! ! C7H15-2A + CH3O2 = C7H15O-1-2 + CH3O 7.00E+12 0 -1000 C7H15-2B + CH3O2 = C7H15O-2-2 + CH3O 7.00E+12 0 -1000 C7H15-2C + CH3O2 = C7H15O-3-2 + CH3O 7.00E+12 0 -1000 C7H15-2D + CH3O2 = C7H15O-4-2 + CH3O 7.00E+12 0 -1000 C7H15-2E + CH3O2 = C7H15O-5-2 + CH3O 7.00E+12 0 -1000 C7H15-2F + CH3O2 = C7H15O-6-2 + CH3O 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! C8H17-2A + CH3O2 = C8H17O-1-2 + CH3O 7.00E+12 0 -1000 C8H17-2B + CH3O2 = C8H17O-2-2 + CH3O 7.00E+12 0 -1000 C8H17-2C + CH3O2 = C8H17O-3-2 + CH3O 7.00E+12 0 -1000 C8H17-2D + CH3O2 = C8H17O-4-2 + CH3O 7.00E+12 0 -1000 C8H17-2E + CH3O2 = C8H17O-5-2 + CH3O 7.00E+12 0 -1000 C8H17-2F + CH3O2 = C8H17O-6-2 + CH3O 7.00E+12 0 -1000 C8H17-2G + CH3O2 = C8H17O-7-2 + CH3O 7.00E+12 0 -1000 ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! CLASS 14 ! ! ! ! ! C9H19-2A + CH3O2 = C9H19O-1-2 + CH3O 7.00E+12 0 -1000 C9H19-2B + CH3O2 = C9H19O-2-2 + CH3O 7.00E+12 0 -1000 C9H19-2C + CH3O2 = C9H19O-3-2 + CH3O 7.00E+12 0 -1000 C9H19-2D + CH3O2 = C9H19O-4-2 + CH3O 7.00E+12 0 -1000 C9H19-2E + CH3O2 = C9H19O-5-2 + CH3O 7.00E+12 0 -1000 C9H19-2F + CH3O2 = C9H19O-6-2 + CH3O 7.00E+12 0 -1000 C9H19-2G + CH3O2 = C9H19O-7-2 + CH3O 7.00E+12 0 -1000 C9H19-2H + CH3O2 = C9H19O-8-2 + CH3O 7.00E+12 0 -1000 ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 14 ! ! ! ! ! C10H21-2A + CH3O2 = C10H21O-1-2 + CH3O 7.00E+12 0 -1000 C10H21-2B + CH3O2 = C10H21O-2-2 + CH3O 7.00E+12 0 -1000 C10H21-2C + CH3O2 = C10H21O-3-2 + CH3O 7.00E+12 0 -1000 C10H21-2D + CH3O2 = C10H21O-4-2 + CH3O 7.00E+12 0 -1000 C10H21-2E + CH3O2 = C10H21O-5-2 + CH3O 7.00E+12 0 -1000 C10H21-2F + CH3O2 = C10H21O-6-2 + CH3O 7.00E+12 0 -1000 C10H21-2G + CH3O2 = C10H21O-7-2 + CH3O 7.00E+12 0 -1000 C10H21-2H + CH3O2 = C10H21O-8-2 + CH3O 7.00E+12 0 -1000 C10H21-2I + CH3O2 = C10H21O-9-2 + CH3O 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 14 ! ! ! ! ! C11H23-2A + CH3O2 = C11H23O-1-2 + CH3O 7.00E+12 0 -1000 C11H23-2B + CH3O2 = C11H23O-2-2 + CH3O 7.00E+12 0 -1000 C11H23-2C + CH3O2 = C11H23O-3-2 + CH3O 7.00E+12 0 -1000 C11H23-2D + CH3O2 = C11H23O-4-2 + CH3O 7.00E+12 0 -1000 C11H23-2E + CH3O2 = C11H23O-5-2 + CH3O 7.00E+12 0 -1000 C11H23-2F + CH3O2 = C11H23O-6-2 + CH3O 7.00E+12 0 -1000 C11H23-2G + CH3O2 = C11H23O-7-2 + CH3O 7.00E+12 0 -1000 C11H23-2H + CH3O2 = C11H23O-8-2 + CH3O 7.00E+12 0 -1000 C11H23-2I + CH3O2 = C11H23O-9-2 + CH3O 7.00E+12 0 -1000 C11H23-2J + CH3O2 = C11H23O-10-2 + CH3O 7.00E+12 0 -1000 ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! CLASS 14 ! ! ! ! ! C12H25-2A + CH3O2 = C12H25O-1-2 + CH3O 7.00E+12 0 -1000 C12H25-2B + CH3O2 = C12H25O-2-2 + CH3O 7.00E+12 0 -1000 C12H25-2C + CH3O2 = C12H25O-3-2 + CH3O 7.00E+12 0 -1000 C12H25-2D + CH3O2 = C12H25O-4-2 + CH3O 7.00E+12 0 -1000 C12H25-2E + CH3O2 = C12H25O-5-2 + CH3O 7.00E+12 0 -1000 C12H25-2F + CH3O2 = C12H25O-6-2 + CH3O 7.00E+12 0 -1000 C12H25-2G + CH3O2 = C12H25O-7-2 + CH3O 7.00E+12 0 -1000 C12H25-2H + CH3O2 = C12H25O-8-2 + CH3O 7.00E+12 0 -1000 C12H25-2I + CH3O2 = C12H25O-9-2 + CH3O 7.00E+12 0 -1000 C12H25-2J + CH3O2 = C12H25O-10-2 + CH3O 7.00E+12 0 -1000 C12H25-2K + CH3O2 = C12H25O-11-2 + CH3O 7.00E+12 0 -1000 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! ! ! 2-METHYLHEXANE ! ! ! C7H15OO-1-2 = C7OOH1-2A 3.75E+10 0.00 2.400E+04 C7H15OO-1-2 = C7OOH1-2B 1.00E+11 0.00 2.370E+04 C7H15OO-1-2 = C7OOH1-2C 2.50E+10 0.00 2.045E+04 C7H15OO-1-2 = C7OOH1-2D 3.125E+09 0.00 1.865E+04 C7H15OO-1-2 = C7OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C7H15OO-2-2 = C7OOH2-2A 6.00E+11 0.00 2.900E+04 C7H15OO-2-2 = C7OOH2-2C 2.00E+11 0.00 2.645E+04 C7H15OO-2-2 = C7OOH2-2D 2.50E+10 0.00 2.045E+04 C7H15OO-2-2 = C7OOH2-2E 3.125E+09 0.00 1.865E+04 C7H15OO-2-2 = C7OOH2-2F 5.86E+08 0.00 2.520E+04 ! ! C7H15OO-3-2 = C7OOH3-2A 7.50E+10 0.00 2.400E+04 C7H15OO-3-2 = C7OOH3-2B 1.00E+11 0.00 2.370E+04 C7H15OO-3-2 = C7OOH3-2D 2.00E+11 0.00 2.645E+04 C7H15OO-3-2 = C7OOH3-2E 2.50E+10 0.00 2.045E+04 C7H15OO-3-2 = C7OOH3-2F 4.69E+09 0.00 2.195E+04 ! ! C7H15OO-4-2 = C7OOH4-2A 9.38E+09 0.00 2.165E+04 C7H15OO-4-2 = C7OOH4-2B 1.25E+10 0.00 1.870E+04 C7H15OO-4-2 = C7OOH4-2C 2.00E+11 0.00 2.645E+04 C7H15OO-4-2 = C7OOH4-2E 2.00E+11 0.00 2.645E+04 C7H15OO-4-2 = C7OOH4-2F 3.75E+10 0.00 2.400E+04 ! ! C7H15OO-5-2 = C7OOH5-2A 1.17E+09 0.00 2.515E+04 C7H15OO-5-2 = C7OOH5-2B 1.56E+09 0.00 1.665E+04 C7H15OO-5-2 = C7OOH5-2C 2.50E+10 0.00 2.045E+04 C7H15OO-5-2 = C7OOH5-2D 2.00E+11 0.00 2.645E+04 C7H15OO-5-2 = C7OOH5-2F 3.00E+11 0.00 2.900E+04 ! ! C7H15OO-6-2 = C7OOH6-2B 1.95E+08 0.00 1.965E+04 C7H15OO-6-2 = C7OOH6-2C 3.125E+09 0.00 1.865E+04 C7H15OO-6-2 = C7OOH6-2D 2.50E+10 0.00 2.045E+04 C7H15OO-6-2 = C7OOH6-2E 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! C8H17OO-1-2 = C8OOH1-2A 3.75E+10 0.00 2.400E+04 C8H17OO-1-2 = C8OOH1-2B 1.00E+11 0.00 2.370E+04 C8H17OO-1-2 = C8OOH1-2C 2.50E+10 0.00 2.045E+04 C8H17OO-1-2 = C8OOH1-2D 3.125E+09 0.00 1.865E+04 C8H17OO-1-2 = C8OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C8H17OO-2-2 = C8OOH2-2A 6.00E+11 0.00 2.900E+04 C8H17OO-2-2 = C8OOH2-2C 2.00E+11 0.00 2.645E+04 C8H17OO-2-2 = C8OOH2-2D 2.50E+10 0.00 2.045E+04 C8H17OO-2-2 = C8OOH2-2E 3.125E+09 0.00 1.865E+04 C8H17OO-2-2 = C8OOH2-2F 3.906E+08 0.00 2.165E+04 ! ! C8H17OO-3-2 = C8OOH3-2A 7.50E+10 0.00 2.400E+04 C8H17OO-3-2 = C8OOH3-2B 1.00E+11 0.00 2.370E+04 C8H17OO-3-2 = C8OOH3-2D 2.00E+11 0.00 2.645E+04 C8H17OO-3-2 = C8OOH3-2E 2.50E+10 0.00 2.045E+04 C8H17OO-3-2 = C8OOH3-2F 3.125E+09 0.00 1.865E+04 C8H17OO-3-2 = C8OOH3-2G 5.86E+08 0.00 2.520E+04 ! ! C8H17OO-4-2 = C8OOH4-2A 9.38E+09 0.00 2.165E+04 C8H17OO-4-2 = C8OOH4-2B 1.25E+10 0.00 1.870E+04 C8H17OO-4-2 = C8OOH4-2C 2.00E+11 0.00 2.645E+04 C8H17OO-4-2 = C8OOH4-2E 2.00E+11 0.00 2.645E+04 C8H17OO-4-2 = C8OOH4-2F 2.50E+10 0.00 2.045E+04 C8H17OO-4-2 = C8OOH4-2G 4.69E+09 0.00 2.195E+04 ! ! C8H17OO-5-2 = C8OOH5-2A 1.17E+09 0.00 2.515E+04 C8H17OO-5-2 = C8OOH5-2B 1.56E+09 0.00 1.665E+04 C8H17OO-5-2 = C8OOH5-2C 2.50E+10 0.00 2.045E+04 C8H17OO-5-2 = C8OOH5-2D 2.00E+11 0.00 2.645E+04 C8H17OO-5-2 = C8OOH5-2F 2.00E+11 0.00 2.645E+04 C8H17OO-5-2 = C8OOH5-2G 3.75E+10 0.00 2.400E+04 ! ! C8H17OO-6-2 = C8OOH6-2B 1.95E+08 0.00 1.965E+04 C8H17OO-6-2 = C8OOH6-2C 3.125E+09 0.00 1.865E+04 C8H17OO-6-2 = C8OOH6-2D 2.50E+10 0.00 2.045E+04 C8H17OO-6-2 = C8OOH6-2E 2.00E+11 0.00 2.645E+04 C8H17OO-6-2 = C8OOH6-2G 3.00E+11 0.00 2.900E+04 ! ! C8H17OO-7-2 = C8OOH7-2C 3.906E+08 0.00 2.165E+04 C8H17OO-7-2 = C8OOH7-2D 3.125E+09 0.00 1.865E+04 C8H17OO-7-2 = C8OOH7-2E 2.50E+10 0.00 2.045E+04 C8H17OO-7-2 = C8OOH7-2F 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! C9H19OO-1-2 = C9OOH1-2A 3.75E+10 0.00 2.400E+04 C9H19OO-1-2 = C9OOH1-2B 1.00E+11 0.00 2.370E+04 C9H19OO-1-2 = C9OOH1-2C 2.50E+10 0.00 2.045E+04 C9H19OO-1-2 = C9OOH1-2D 3.125E+09 0.00 1.865E+04 C9H19OO-1-2 = C9OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C9H19OO-2-2 = C9OOH2-2A 6.00E+11 0.00 2.900E+04 C9H19OO-2-2 = C9OOH2-2C 2.00E+11 0.00 2.645E+04 C9H19OO-2-2 = C9OOH2-2D 2.50E+10 0.00 2.045E+04 C9H19OO-2-2 = C9OOH2-2E 3.125E+09 0.00 1.865E+04 C9H19OO-2-2 = C9OOH2-2F 3.906E+08 0.00 2.165E+04 ! ! C9H19OO-3-2 = C9OOH3-2A 7.50E+10 0.00 2.400E+04 C9H19OO-3-2 = C9OOH3-2B 1.00E+11 0.00 2.370E+04 C9H19OO-3-2 = C9OOH3-2D 2.00E+11 0.00 2.645E+04 C9H19OO-3-2 = C9OOH3-2E 2.50E+10 0.00 2.045E+04 C9H19OO-3-2 = C9OOH3-2F 3.125E+09 0.00 1.865E+04 C9H19OO-3-2 = C9OOH3-2G 3.906E+08 0.00 2.165E+04 ! ! C9H19OO-4-2 = C9OOH4-2A 9.38E+09 0.00 2.165E+04 C9H19OO-4-2 = C9OOH4-2B 1.25E+10 0.00 1.870E+04 C9H19OO-4-2 = C9OOH4-2C 2.00E+11 0.00 2.645E+04 C9H19OO-4-2 = C9OOH4-2E 2.00E+11 0.00 2.645E+04 C9H19OO-4-2 = C9OOH4-2F 2.50E+10 0.00 2.045E+04 C9H19OO-4-2 = C9OOH4-2G 3.125E+09 0.00 1.865E+04 C9H19OO-4-2 = C9OOH4-2H 5.86E+08 0.00 2.520E+04 ! ! C9H19OO-5-2 = C9OOH5-2A 1.17E+09 0.00 2.515E+04 C9H19OO-5-2 = C9OOH5-2B 1.56E+09 0.00 1.665E+04 C9H19OO-5-2 = C9OOH5-2C 2.50E+10 0.00 2.045E+04 C9H19OO-5-2 = C9OOH5-2D 2.00E+11 0.00 2.645E+04 C9H19OO-5-2 = C9OOH5-2F 2.00E+11 0.00 2.645E+04 C9H19OO-5-2 = C9OOH5-2G 2.50E+10 0.00 2.045E+04 C9H19OO-5-2 = C9OOH5-2H 4.69E+09 0.00 2.195E+04 ! ! C9H19OO-6-2 = C9OOH6-2B 1.95E+08 0.00 1.965E+04 C9H19OO-6-2 = C9OOH6-2C 3.125E+09 0.00 1.865E+04 C9H19OO-6-2 = C9OOH6-2D 2.50E+10 0.00 2.045E+04 C9H19OO-6-2 = C9OOH6-2E 2.00E+11 0.00 2.645E+04 C9H19OO-6-2 = C9OOH6-2G 2.00E+11 0.00 2.645E+04 C9H19OO-6-2 = C9OOH6-2H 3.75E+10 0.00 2.400E+04 ! ! C9H19OO-7-2 = C9OOH7-2C 3.906E+08 0.00 2.165E+04 C9H19OO-7-2 = C9OOH7-2D 3.125E+09 0.00 1.865E+04 C9H19OO-7-2 = C9OOH7-2E 2.50E+10 0.00 2.045E+04 C9H19OO-7-2 = C9OOH7-2F 2.00E+11 0.00 2.645E+04 C9H19OO-7-2 = C9OOH7-2H 3.00E+11 0.00 2.900E+04 ! C9H19OO-8-2 = C9OOH8-2D 3.906E+08 0.00 2.165E+04 C9H19OO-8-2 = C9OOH8-2E 3.125E+09 0.00 1.865E+04 C9H19OO-8-2 = C9OOH8-2F 2.50E+10 0.00 2.045E+04 C9H19OO-8-2 = C9OOH8-2G 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! C10H21OO-1-2 = C10OOH1-2A 3.75E+10 0.00 2.400E+04 C10H21OO-1-2 = C10OOH1-2B 1.00E+11 0.00 2.370E+04 C10H21OO-1-2 = C10OOH1-2C 2.50E+10 0.00 2.045E+04 C10H21OO-1-2 = C10OOH1-2D 3.125E+09 0.00 1.865E+04 C10H21OO-1-2 = C10OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C10H21OO-2-2 = C10OOH2-2A 6.00E+11 0.00 2.900E+04 C10H21OO-2-2 = C10OOH2-2C 2.00E+11 0.00 2.645E+04 C10H21OO-2-2 = C10OOH2-2D 2.50E+10 0.00 2.045E+04 C10H21OO-2-2 = C10OOH2-2E 3.125E+09 0.00 1.865E+04 C10H21OO-2-2 = C10OOH2-2F 3.906E+08 0.00 2.165E+04 ! ! C10H21OO-3-2 = C10OOH3-2A 7.50E+10 0.00 2.400E+04 C10H21OO-3-2 = C10OOH3-2B 1.00E+11 0.00 2.370E+04 C10H21OO-3-2 = C10OOH3-2D 2.00E+11 0.00 2.645E+04 C10H21OO-3-2 = C10OOH3-2E 2.50E+10 0.00 2.045E+04 C10H21OO-3-2 = C10OOH3-2F 3.125E+09 0.00 1.865E+04 C10H21OO-3-2 = C10OOH3-2G 3.906E+08 0.00 2.165E+04 ! ! C10H21OO-4-2 = C10OOH4-2A 9.38E+09 0.00 2.165E+04 C10H21OO-4-2 = C10OOH4-2B 1.25E+10 0.00 1.870E+04 C10H21OO-4-2 = C10OOH4-2C 2.00E+11 0.00 2.645E+04 C10H21OO-4-2 = C10OOH4-2E 2.00E+11 0.00 2.645E+04 C10H21OO-4-2 = C10OOH4-2F 2.50E+10 0.00 2.045E+04 C10H21OO-4-2 = C10OOH4-2G 3.125E+09 0.00 1.865E+04 C10H21OO-4-2 = C10OOH4-2H 3.906E+08 0.00 2.165E+04 ! ! C10H21OO-5-2 = C10OOH5-2A 1.17E+09 0.00 2.515E+04 C10H21OO-5-2 = C10OOH5-2B 1.56E+09 0.00 1.665E+04 C10H21OO-5-2 = C10OOH5-2C 2.50E+10 0.00 2.045E+04 C10H21OO-5-2 = C10OOH5-2D 2.00E+11 0.00 2.645E+04 C10H21OO-5-2 = C10OOH5-2F 2.00E+11 0.00 2.645E+04 C10H21OO-5-2 = C10OOH5-2G 2.50E+10 0.00 2.045E+04 C10H21OO-5-2 = C10OOH5-2H 3.125E+09 0.00 1.865E+04 C10H21OO-5-2 = C10OOH5-2I 5.86E+08 0.00 2.520E+04 ! ! C10H21OO-6-2 = C10OOH6-2B 1.95E+08 0.00 1.965E+04 C10H21OO-6-2 = C10OOH6-2C 3.125E+09 0.00 1.865E+04 C10H21OO-6-2 = C10OOH6-2D 2.50E+10 0.00 2.045E+04 C10H21OO-6-2 = C10OOH6-2E 2.00E+11 0.00 2.645E+04 C10H21OO-6-2 = C10OOH6-2G 2.00E+11 0.00 2.645E+04 C10H21OO-6-2 = C10OOH6-2H 2.50E+10 0.00 2.045E+04 C10H21OO-6-2 = C10OOH6-2I 4.69E+09 0.00 2.195E+04 ! ! C10H21OO-7-2 = C10OOH7-2C 3.906E+08 0.00 2.165E+04 C10H21OO-7-2 = C10OOH7-2D 3.125E+09 0.00 1.865E+04 C10H21OO-7-2 = C10OOH7-2E 2.50E+10 0.00 2.045E+04 C10H21OO-7-2 = C10OOH7-2F 2.00E+11 0.00 2.645E+04 C10H21OO-7-2 = C10OOH7-2H 2.00E+11 0.00 2.645E+04 C10H21OO-7-2 = C10OOH7-2I 3.75E+10 0.00 2.400E+04 ! C10H21OO-8-2 = C10OOH8-2D 3.906E+08 0.00 2.165E+04 C10H21OO-8-2 = C10OOH8-2E 3.125E+09 0.00 1.865E+04 C10H21OO-8-2 = C10OOH8-2F 2.50E+10 0.00 2.045E+04 C10H21OO-8-2 = C10OOH8-2G 2.00E+11 0.00 2.645E+04 C10H21OO-8-2 = C10OOH8-2I 3.00E+11 0.00 2.900E+04 ! C10H21OO-9-2 = C10OOH9-2E 3.906E+08 0.00 2.165E+04 C10H21OO-9-2 = C10OOH9-2F 3.125E+09 0.00 1.865E+04 C10H21OO-9-2 = C10OOH9-2G 2.50E+10 0.00 2.045E+04 C10H21OO-9-2 = C10OOH9-2H 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! C11H23OO-1-2 = C11OOH1-2A 3.75E+10 0.00 2.400E+04 C11H23OO-1-2 = C11OOH1-2B 1.00E+11 0.00 2.370E+04 C11H23OO-1-2 = C11OOH1-2C 2.50E+10 0.00 2.045E+04 C11H23OO-1-2 = C11OOH1-2D 3.125E+09 0.00 1.865E+04 C11H23OO-1-2 = C11OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C11H23OO-2-2 = C11OOH2-2A 6.00E+11 0.00 2.900E+04 C11H23OO-2-2 = C11OOH2-2C 2.00E+11 0.00 2.645E+04 C11H23OO-2-2 = C11OOH2-2D 2.50E+10 0.00 2.045E+04 C11H23OO-2-2 = C11OOH2-2E 3.125E+09 0.00 1.865E+04 C11H23OO-2-2 = C11OOH2-2F 3.906E+08 0.00 2.165E+04 ! ! C11H23OO-3-2 = C11OOH3-2A 7.50E+10 0.00 2.400E+04 C11H23OO-3-2 = C11OOH3-2B 1.00E+11 0.00 2.370E+04 C11H23OO-3-2 = C11OOH3-2D 2.00E+11 0.00 2.645E+04 C11H23OO-3-2 = C11OOH3-2E 2.50E+10 0.00 2.045E+04 C11H23OO-3-2 = C11OOH3-2F 3.125E+09 0.00 1.865E+04 C11H23OO-3-2 = C11OOH3-2G 3.906E+08 0.00 2.165E+04 ! ! C11H23OO-4-2 = C11OOH4-2A 9.38E+09 0.00 2.165E+04 C11H23OO-4-2 = C11OOH4-2B 1.25E+10 0.00 1.870E+04 C11H23OO-4-2 = C11OOH4-2C 2.00E+11 0.00 2.645E+04 C11H23OO-4-2 = C11OOH4-2E 2.00E+11 0.00 2.645E+04 C11H23OO-4-2 = C11OOH4-2F 2.50E+10 0.00 2.045E+04 C11H23OO-4-2 = C11OOH4-2G 3.125E+09 0.00 1.865E+04 C11H23OO-4-2 = C11OOH4-2H 3.906E+08 0.00 2.165E+04 ! ! C11H23OO-5-2 = C11OOH5-2A 1.17E+09 0.00 2.515E+04 C11H23OO-5-2 = C11OOH5-2B 1.56E+09 0.00 1.665E+04 C11H23OO-5-2 = C11OOH5-2C 2.50E+10 0.00 2.045E+04 C11H23OO-5-2 = C11OOH5-2D 2.00E+11 0.00 2.645E+04 C11H23OO-5-2 = C11OOH5-2F 2.00E+11 0.00 2.645E+04 C11H23OO-5-2 = C11OOH5-2G 2.50E+10 0.00 2.045E+04 C11H23OO-5-2 = C11OOH5-2H 3.125E+09 0.00 1.865E+04 C11H23OO-5-2 = C11OOH5-2I 3.906E+08 0.00 2.165E+04 ! ! C11H23OO-6-2 = C11OOH6-2B 1.95E+08 0.00 1.965E+04 C11H23OO-6-2 = C11OOH6-2C 3.125E+09 0.00 1.865E+04 C11H23OO-6-2 = C11OOH6-2D 2.50E+10 0.00 2.045E+04 C11H23OO-6-2 = C11OOH6-2E 2.00E+11 0.00 2.645E+04 C11H23OO-6-2 = C11OOH6-2G 2.00E+11 0.00 2.645E+04 C11H23OO-6-2 = C11OOH6-2H 2.50E+10 0.00 2.045E+04 C11H23OO-6-2 = C11OOH6-2I 3.125E+09 0.00 1.865E+04 C11H23OO-6-2 = C11OOH6-2J 5.86E+08 0.00 2.520E+04 ! ! C11H23OO-7-2 = C11OOH7-2C 3.906E+08 0.00 2.165E+04 C11H23OO-7-2 = C11OOH7-2D 3.125E+09 0.00 1.865E+04 C11H23OO-7-2 = C11OOH7-2E 2.50E+10 0.00 2.045E+04 C11H23OO-7-2 = C11OOH7-2F 2.00E+11 0.00 2.645E+04 C11H23OO-7-2 = C11OOH7-2H 2.00E+11 0.00 2.645E+04 C11H23OO-7-2 = C11OOH7-2I 2.50E+10 0.00 2.045E+04 C11H23OO-7-2 = C11OOH7-2J 4.69E+09 0.00 2.195E+04 ! C11H23OO-8-2 = C11OOH8-2D 3.906E+08 0.00 2.165E+04 C11H23OO-8-2 = C11OOH8-2E 3.125E+09 0.00 1.865E+04 C11H23OO-8-2 = C11OOH8-2F 2.50E+10 0.00 2.045E+04 C11H23OO-8-2 = C11OOH8-2G 2.00E+11 0.00 2.645E+04 C11H23OO-8-2 = C11OOH8-2I 2.00E+11 0.00 2.645E+04 C11H23OO-8-2 = C11OOH8-2J 3.75E+10 0.00 2.400E+04 ! C11H23OO-9-2 = C11OOH9-2E 3.906E+08 0.00 2.165E+04 C11H23OO-9-2 = C11OOH9-2F 3.125E+09 0.00 1.865E+04 C11H23OO-9-2 = C11OOH9-2G 2.50E+10 0.00 2.045E+04 C11H23OO-9-2 = C11OOH9-2H 2.00E+11 0.00 2.645E+04 C11H23OO-9-2 = C11OOH9-2J 3.00E+11 0.00 2.900E+04 ! C11H23OO-10-2 = C11OOH10-2F 3.906E+08 0.00 2.165E+04 C11H23OO-10-2 = C11OOH10-2G 3.125E+09 0.00 1.865E+04 C11H23OO-10-2 = C11OOH10-2H 2.50E+10 0.00 2.045E+04 C11H23OO-10-2 = C11OOH10-2I 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 15 RO2 ISOMERIZATION ! ROO. = .QOOH ! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE ! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, 8 ATOMS ! A HYPHEN IS NOT USED TO INDICATE OOH POSITION ! RADICAL SITE DENOTED BY LETTER ! ! C12H25OO-1-2 = C12OOH1-2A 3.75E+10 0.00 2.400E+04 C12H25OO-1-2 = C12OOH1-2B 1.00E+11 0.00 2.370E+04 C12H25OO-1-2 = C12OOH1-2C 2.50E+10 0.00 2.045E+04 C12H25OO-1-2 = C12OOH1-2D 3.125E+09 0.00 1.865E+04 C12H25OO-1-2 = C12OOH1-2E 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-2-2 = C12OOH2-2A 6.00E+11 0.00 2.900E+04 C12H25OO-2-2 = C12OOH2-2C 2.00E+11 0.00 2.645E+04 C12H25OO-2-2 = C12OOH2-2D 2.50E+10 0.00 2.045E+04 C12H25OO-2-2 = C12OOH2-2E 3.125E+09 0.00 1.865E+04 C12H25OO-2-2 = C12OOH2-2F 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-3-2 = C12OOH3-2A 7.50E+10 0.00 2.400E+04 C12H25OO-3-2 = C12OOH3-2B 1.00E+11 0.00 2.370E+04 C12H25OO-3-2 = C12OOH3-2D 2.00E+11 0.00 2.645E+04 C12H25OO-3-2 = C12OOH3-2E 2.50E+10 0.00 2.045E+04 C12H25OO-3-2 = C12OOH3-2F 3.125E+09 0.00 1.865E+04 C12H25OO-3-2 = C12OOH3-2G 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-4-2 = C12OOH4-2A 9.38E+09 0.00 2.165E+04 C12H25OO-4-2 = C12OOH4-2B 1.25E+10 0.00 1.870E+04 C12H25OO-4-2 = C12OOH4-2C 2.00E+11 0.00 2.645E+04 C12H25OO-4-2 = C12OOH4-2E 2.00E+11 0.00 2.645E+04 C12H25OO-4-2 = C12OOH4-2F 2.50E+10 0.00 2.045E+04 C12H25OO-4-2 = C12OOH4-2G 3.125E+09 0.00 1.865E+04 C12H25OO-4-2 = C12OOH4-2H 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-5-2 = C12OOH5-2A 1.17E+09 0.00 2.515E+04 C12H25OO-5-2 = C12OOH5-2B 1.56E+09 0.00 1.665E+04 C12H25OO-5-2 = C12OOH5-2C 2.50E+10 0.00 2.045E+04 C12H25OO-5-2 = C12OOH5-2D 2.00E+11 0.00 2.645E+04 C12H25OO-5-2 = C12OOH5-2F 2.00E+11 0.00 2.645E+04 C12H25OO-5-2 = C12OOH5-2G 2.50E+10 0.00 2.045E+04 C12H25OO-5-2 = C12OOH5-2H 3.125E+09 0.00 1.865E+04 C12H25OO-5-2 = C12OOH5-2I 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-6-2 = C12OOH6-2B 1.95E+08 0.00 1.965E+04 C12H25OO-6-2 = C12OOH6-2C 3.125E+09 0.00 1.865E+04 C12H25OO-6-2 = C12OOH6-2D 2.50E+10 0.00 2.045E+04 C12H25OO-6-2 = C12OOH6-2E 2.00E+11 0.00 2.645E+04 C12H25OO-6-2 = C12OOH6-2G 2.00E+11 0.00 2.645E+04 C12H25OO-6-2 = C12OOH6-2H 2.50E+10 0.00 2.045E+04 C12H25OO-6-2 = C12OOH6-2I 3.125E+09 0.00 1.865E+04 C12H25OO-6-2 = C12OOH6-2J 3.906E+08 0.00 2.165E+04 ! ! C12H25OO-7-2 = C12OOH7-2C 3.906E+08 0.00 2.165E+04 C12H25OO-7-2 = C12OOH7-2D 3.125E+09 0.00 1.865E+04 C12H25OO-7-2 = C12OOH7-2E 2.50E+10 0.00 2.045E+04 C12H25OO-7-2 = C12OOH7-2F 2.00E+11 0.00 2.645E+04 C12H25OO-7-2 = C12OOH7-2H 2.00E+11 0.00 2.645E+04 C12H25OO-7-2 = C12OOH7-2I 2.50E+10 0.00 2.045E+04 C12H25OO-7-2 = C12OOH7-2J 3.125E+09 0.00 1.865E+04 C12H25OO-7-2 = C12OOH7-2K 5.86E+08 0.00 2.520E+04 ! C12H25OO-8-2 = C12OOH8-2D 3.906E+08 0.00 2.165E+04 C12H25OO-8-2 = C12OOH8-2E 3.125E+09 0.00 1.865E+04 C12H25OO-8-2 = C12OOH8-2F 2.50E+10 0.00 2.045E+04 C12H25OO-8-2 = C12OOH8-2G 2.00E+11 0.00 2.645E+04 C12H25OO-8-2 = C12OOH8-2I 2.00E+11 0.00 2.645E+04 C12H25OO-8-2 = C12OOH8-2J 2.50E+10 0.00 2.045E+04 C12H25OO-8-2 = C12OOH8-2K 4.69E+09 0.00 2.195E+04 ! C12H25OO-9-2 = C12OOH9-2E 3.906E+08 0.00 2.165E+04 C12H25OO-9-2 = C12OOH9-2F 3.125E+09 0.00 1.865E+04 C12H25OO-9-2 = C12OOH9-2G 2.50E+10 0.00 2.045E+04 C12H25OO-9-2 = C12OOH9-2H 2.00E+11 0.00 2.645E+04 C12H25OO-9-2 = C12OOH9-2J 2.00E+11 0.00 2.645E+04 C12H25OO-9-2 = C12OOH9-2K 3.75E+10 0.00 2.400E+04 ! C12H25OO-10-2 = C12OOH10-2F 3.906E+08 0.00 2.165E+04 C12H25OO-10-2 = C12OOH10-2G 3.125E+09 0.00 1.865E+04 C12H25OO-10-2 = C12OOH10-2H 2.50E+10 0.00 2.045E+04 C12H25OO-10-2 = C12OOH10-2I 2.00E+11 0.00 2.645E+04 C12H25OO-10-2 = C12OOH10-2K 3.00E+11 0.00 2.900E+04 ! ! ! C12H25OO-11-2 = C12OOH11-2G 3.906E+08 0.00 2.165E+04 C12H25OO-11-2 = C12OOH11-2H 3.125E+09 0.00 1.865E+04 C12H25OO-11-2 = C12OOH11-2I 2.50E+10 0.00 2.045E+04 C12H25OO-11-2 = C12OOH11-2J 2.00E+11 0.00 2.645E+04 ! ! ! ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C7H15OO-1-2<=>C7H14-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C7H15OO-2-2<=>C7H14-1-2+HO2 5.920E+42 -9.43 4.153E+04 C7H15OO-2-2<=>C7H14-2-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-3-2<=>C7H14-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C7H15OO-3-2<=>C7H14-3-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-4-2<=>C7H14-3-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-4-2<=>C7H14-4-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-5-2<=>C7H14-4-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-5-2<=>C7H14-5-2+HO2 4.308E+36 -7.50 3.951E+04 C7H15OO-6-2<=>C7H14-5-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C8H17OO-1-2<=>C8H16-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C8H17OO-2-2<=>C8H16-1-2+HO2 5.920E+42 -9.43 4.153E+04 C8H17OO-2-2<=>C8H16-2-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-3-2<=>C8H16-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C8H17OO-3-2<=>C8H16-3-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-4-2<=>C8H16-3-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-4-2<=>C8H16-4-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-5-2<=>C8H16-4-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-5-2<=>C8H16-5-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-6-2<=>C8H16-5-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-6-2<=>C8H16-6-2+HO2 4.308E+36 -7.50 3.951E+04 C8H17OO-7-2<=>C8H16-6-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C9H19OO-1-2<=>C9H18-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C9H19OO-2-2<=>C9H18-1-2+HO2 5.920E+42 -9.43 4.153E+04 C9H19OO-2-2<=>C9H18-2-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-3-2<=>C9H18-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C9H19OO-3-2<=>C9H18-3-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-4-2<=>C9H18-3-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-4-2<=>C9H18-4-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-5-2<=>C9H18-4-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-5-2<=>C9H18-5-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-6-2<=>C9H18-5-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-6-2<=>C9H18-6-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-7-2<=>C9H18-6-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-7-2<=>C9H18-7-2+HO2 4.308E+36 -7.50 3.951E+04 C9H19OO-8-2<=>C9H18-7-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C10H21OO-1-2<=>C10H20-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C10H21OO-2-2<=>C10H20-1-2+HO2 5.920E+42 -9.43 4.153E+04 C10H21OO-2-2<=>C10H20-2-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-3-2<=>C10H20-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C10H21OO-3-2<=>C10H20-3-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-4-2<=>C10H20-3-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-4-2<=>C10H20-4-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-5-2<=>C10H20-4-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-5-2<=>C10H20-5-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-6-2<=>C10H20-5-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-6-2<=>C10H20-6-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-7-2<=>C10H20-6-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-7-2<=>C10H20-7-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-8-2<=>C10H20-7-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-8-2<=>C10H20-8-2+HO2 4.308E+36 -7.50 3.951E+04 C10H21OO-9-2<=>C10H20-8-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C11H23OO-1-2<=>C11H22-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C11H23OO-2-2<=>C11H22-1-2+HO2 5.920E+42 -9.43 4.153E+04 C11H23OO-2-2<=>C11H22-2-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-3-2<=>C11H22-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C11H23OO-3-2<=>C11H22-3-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-4-2<=>C11H22-3-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-4-2<=>C11H22-4-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-5-2<=>C11H22-4-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-5-2<=>C11H22-5-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-6-2<=>C11H22-5-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-6-2<=>C11H22-6-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-7-2<=>C11H22-6-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-7-2<=>C11H22-7-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-8-2<=>C11H22-7-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-8-2<=>C11H22-8-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-9-2<=>C11H22-8-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-9-2<=>C11H22-9-2+HO2 4.308E+36 -7.50 3.951E+04 C11H23OO-10-2<=>C11H22-9-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2 ! C12H25OO-1-2<=>C12H24-1-2+HO2 2.2650E+35 -7.220 3.944E+04 C12H25OO-2-2<=>C12H24-1-2+HO2 5.920E+42 -9.43 4.153E+04 C12H25OO-2-2<=>C12H24-2-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-3-2<=>C12H24-2-2+HO2 2.2650E+35 -7.220 3.944E+04 C12H25OO-3-2<=>C12H24-3-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-4-2<=>C12H24-3-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-4-2<=>C12H24-4-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-5-2<=>C12H24-4-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-5-2<=>C12H24-5-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-6-2<=>C12H24-5-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-6-2<=>C12H24-6-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-7-2<=>C12H24-6-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-7-2<=>C12H24-7-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-8-2<=>C12H24-7-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-8-2<=>C12H24-8-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-9-2<=>C12H24-8-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-9-2<=>C12H24-9-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-10-2<=>C12H24-9-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-10-2<=>C12H24-10-2+HO2 4.308E+36 -7.50 3.951E+04 C12H25OO-11-2<=>C12H24-10-2+HO2 4.308E+36 -7.50 3.951E+04 ! ! ! ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C7H15OO-1-2 + HO2 = C7H15OOH-1-2 + O2 1.75E+10 0 -3275 C7H15OO-2-2 + HO2 = C7H15OOH-2-2 + O2 1.75E+10 0 -3275 C7H15OO-3-2 + HO2 = C7H15OOH-3-2 + O2 1.75E+10 0 -3275 C7H15OO-4-2 + HO2 = C7H15OOH-4-2 + O2 1.75E+10 0 -3275 C7H15OO-5-2 + HO2 = C7H15OOH-5-2 + O2 1.75E+10 0 -3275 C7H15OO-6-2 + HO2 = C7H15OOH-6-2 + O2 1.75E+10 0 -3275 ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C8H17OO-1-2 + HO2 = C8H17OOH-1-2 + O2 1.75E+10 0 -3275 C8H17OO-2-2 + HO2 = C8H17OOH-2-2 + O2 1.75E+10 0 -3275 C8H17OO-3-2 + HO2 = C8H17OOH-3-2 + O2 1.75E+10 0 -3275 C8H17OO-4-2 + HO2 = C8H17OOH-4-2 + O2 1.75E+10 0 -3275 C8H17OO-5-2 + HO2 = C8H17OOH-5-2 + O2 1.75E+10 0 -3275 C8H17OO-6-2 + HO2 = C8H17OOH-6-2 + O2 1.75E+10 0 -3275 C8H17OO-7-2 + HO2 = C8H17OOH-7-2 + O2 1.75E+10 0 -3275 ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C9H19OO-1-2 + HO2 = C9H19OOH-1-2 + O2 1.75E+10 0 -3275 C9H19OO-2-2 + HO2 = C9H19OOH-2-2 + O2 1.75E+10 0 -3275 C9H19OO-3-2 + HO2 = C9H19OOH-3-2 + O2 1.75E+10 0 -3275 C9H19OO-4-2 + HO2 = C9H19OOH-4-2 + O2 1.75E+10 0 -3275 C9H19OO-5-2 + HO2 = C9H19OOH-5-2 + O2 1.75E+10 0 -3275 C9H19OO-6-2 + HO2 = C9H19OOH-6-2 + O2 1.75E+10 0 -3275 C9H19OO-7-2 + HO2 = C9H19OOH-7-2 + O2 1.75E+10 0 -3275 C9H19OO-8-2 + HO2 = C9H19OOH-8-2 + O2 1.75E+10 0 -3275 ! ! ! 2-METHYLNONANE ! ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C10H21OO-1-2 + HO2 = C10H21OOH-1-2 + O2 1.75E+10 0 -3275 C10H21OO-2-2 + HO2 = C10H21OOH-2-2 + O2 1.75E+10 0 -3275 C10H21OO-3-2 + HO2 = C10H21OOH-3-2 + O2 1.75E+10 0 -3275 C10H21OO-4-2 + HO2 = C10H21OOH-4-2 + O2 1.75E+10 0 -3275 C10H21OO-5-2 + HO2 = C10H21OOH-5-2 + O2 1.75E+10 0 -3275 C10H21OO-6-2 + HO2 = C10H21OOH-6-2 + O2 1.75E+10 0 -3275 C10H21OO-7-2 + HO2 = C10H21OOH-7-2 + O2 1.75E+10 0 -3275 C10H21OO-8-2 + HO2 = C10H21OOH-8-2 + O2 1.75E+10 0 -3275 C10H21OO-9-2 + HO2 = C10H21OOH-9-2 + O2 1.75E+10 0 -3275 ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C11H23OO-1-2 + HO2 = C11H23OOH-1-2 + O2 1.75E+10 0 -3275 C11H23OO-2-2 + HO2 = C11H23OOH-2-2 + O2 1.75E+10 0 -3275 C11H23OO-3-2 + HO2 = C11H23OOH-3-2 + O2 1.75E+10 0 -3275 C11H23OO-4-2 + HO2 = C11H23OOH-4-2 + O2 1.75E+10 0 -3275 C11H23OO-5-2 + HO2 = C11H23OOH-5-2 + O2 1.75E+10 0 -3275 C11H23OO-6-2 + HO2 = C11H23OOH-6-2 + O2 1.75E+10 0 -3275 C11H23OO-7-2 + HO2 = C11H23OOH-7-2 + O2 1.75E+10 0 -3275 C11H23OO-8-2 + HO2 = C11H23OOH-8-2 + O2 1.75E+10 0 -3275 C11H23OO-9-2 + HO2 = C11H23OOH-9-2 + O2 1.75E+10 0 -3275 C11H23OO-10-2 + HO2 = C11H23OOH-10-2 + O2 1.75E+10 0 -3275 ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 17 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! C12H25OO-1-2 + HO2 = C12H25OOH-1-2 + O2 1.75E+10 0 -3275 C12H25OO-2-2 + HO2 = C12H25OOH-2-2 + O2 1.75E+10 0 -3275 C12H25OO-3-2 + HO2 = C12H25OOH-3-2 + O2 1.75E+10 0 -3275 C12H25OO-4-2 + HO2 = C12H25OOH-4-2 + O2 1.75E+10 0 -3275 C12H25OO-5-2 + HO2 = C12H25OOH-5-2 + O2 1.75E+10 0 -3275 C12H25OO-6-2 + HO2 = C12H25OOH-6-2 + O2 1.75E+10 0 -3275 C12H25OO-7-2 + HO2 = C12H25OOH-7-2 + O2 1.75E+10 0 -3275 C12H25OO-8-2 + HO2 = C12H25OOH-8-2 + O2 1.75E+10 0 -3275 C12H25OO-9-2 + HO2 = C12H25OOH-9-2 + O2 1.75E+10 0 -3275 C12H25OO-10-2 + HO2 = C12H25OOH-10-2 + O2 1.75E+10 0 -3275 C12H25OO-11-2 + HO2 = C12H25OOH-11-2 + O2 1.75E+10 0 -3275 ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C7H15OO-1-2 + H2O2 = C7H15OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C7H15OO-2-2 + H2O2 = C7H15OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C7H15OO-3-2 + H2O2 = C7H15OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C7H15OO-4-2 + H2O2 = C7H15OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C7H15OO-5-2 + H2O2 = C7H15OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C7H15OO-6-2 + H2O2 = C7H15OOH-6-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C8H17OO-1-2 + H2O2 = C8H17OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-2-2 + H2O2 = C8H17OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-3-2 + H2O2 = C8H17OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-4-2 + H2O2 = C8H17OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-5-2 + H2O2 = C8H17OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-6-2 + H2O2 = C8H17OOH-6-2 + HO2 2.40E+12 0 1.00E+04 C8H17OO-7-2 + H2O2 = C8H17OOH-7-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C9H19OO-1-2 + H2O2 = C9H19OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-2-2 + H2O2 = C9H19OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-3-2 + H2O2 = C9H19OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-4-2 + H2O2 = C9H19OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-5-2 + H2O2 = C9H19OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-6-2 + H2O2 = C9H19OOH-6-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-7-2 + H2O2 = C9H19OOH-7-2 + HO2 2.40E+12 0 1.00E+04 C9H19OO-8-2 + H2O2 = C9H19OOH-8-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! 2-METHYLNONANE ! ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C10H21OO-1-2 + H2O2 = C10H21OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-2-2 + H2O2 = C10H21OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-3-2 + H2O2 = C10H21OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-4-2 + H2O2 = C10H21OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-5-2 + H2O2 = C10H21OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-6-2 + H2O2 = C10H21OOH-6-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-7-2 + H2O2 = C10H21OOH-7-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-8-2 + H2O2 = C10H21OOH-8-2 + HO2 2.40E+12 0 1.00E+04 C10H21OO-9-2 + H2O2 = C10H21OOH-9-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C11H23OO-1-2 + H2O2 = C11H23OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-2-2 + H2O2 = C11H23OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-3-2 + H2O2 = C11H23OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-4-2 + H2O2 = C11H23OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-5-2 + H2O2 = C11H23OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-6-2 + H2O2 = C11H23OOH-6-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-7-2 + H2O2 = C11H23OOH-7-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-8-2 + H2O2 = C11H23OOH-8-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-9-2 + H2O2 = C11H23OOH-9-2 + HO2 2.40E+12 0 1.00E+04 C11H23OO-10-2 + H2O2 = C11H23OOH-10-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + HO2 ! C12H25OO-1-2 + H2O2 = C12H25OOH-1-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-2-2 + H2O2 = C12H25OOH-2-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-3-2 + H2O2 = C12H25OOH-3-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-4-2 + H2O2 = C12H25OOH-4-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-5-2 + H2O2 = C12H25OOH-5-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-6-2 + H2O2 = C12H25OOH-6-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-7-2 + H2O2 = C12H25OOH-7-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-8-2 + H2O2 = C12H25OOH-8-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-9-2 + H2O2 = C12H25OOH-9-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-10-2 + H2O2 = C12H25OOH-10-2 + HO2 2.40E+12 0 1.00E+04 C12H25OO-11-2 + H2O2 = C12H25OOH-11-2 + HO2 2.40E+12 0 1.00E+04 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C7H15OO-1-2 + CH3O2 = C7H15O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C7H15OO-2-2 + CH3O2 = C7H15O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C7H15OO-3-2 + CH3O2 = C7H15O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C7H15OO-4-2 + CH3O2 = C7H15O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C7H15OO-5-2 + CH3O2 = C7H15O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C7H15OO-6-2 + CH3O2 = C7H15O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C8H17OO-1-2 + CH3O2 = C8H17O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + CH3O2 = C8H17O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-3-2 + CH3O2 = C8H17O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-4-2 + CH3O2 = C8H17O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-5-2 + CH3O2 = C8H17O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-6-2 + CH3O2 = C8H17O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C8H17OO-7-2 + CH3O2 = C8H17O-7-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C9H19OO-1-2 + CH3O2 = C9H19O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + CH3O2 = C9H19O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + CH3O2 = C9H19O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-4-2 + CH3O2 = C9H19O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-5-2 + CH3O2 = C9H19O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-6-2 + CH3O2 = C9H19O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-7-2 + CH3O2 = C9H19O-7-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C9H19OO-8-2 + CH3O2 = C9H19O-8-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! 2-METHYLNONANE ! ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C10H21OO-1-2 + CH3O2 = C10H21O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + CH3O2 = C10H21O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + CH3O2 = C10H21O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + CH3O2 = C10H21O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-5-2 + CH3O2 = C10H21O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-6-2 + CH3O2 = C10H21O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-7-2 + CH3O2 = C10H21O-7-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-8-2 + CH3O2 = C10H21O-8-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C10H21OO-9-2 + CH3O2 = C10H21O-9-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! 2-METHYLDECANE ! ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C11H23OO-1-2 + CH3O2 = C11H23O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + CH3O2 = C11H23O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + CH3O2 = C11H23O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + CH3O2 = C11H23O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + CH3O2 = C11H23O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-6-2 + CH3O2 = C11H23O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-7-2 + CH3O2 = C11H23O-7-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-8-2 + CH3O2 = C11H23O-8-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-9-2 + CH3O2 = C11H23O-9-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C11H23OO-10-2 + CH3O2 = C11H23O-10-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + CH3O + O2 ! C12H25OO-1-2 + CH3O2 = C12H25O-1-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + CH3O2 = C12H25O-2-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + CH3O2 = C12H25O-3-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + CH3O2 = C12H25O-4-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + CH3O2 = C12H25O-5-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + CH3O2 = C12H25O-6-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-7-2 + CH3O2 = C12H25O-7-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-8-2 + CH3O2 = C12H25O-8-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-9-2 + CH3O2 = C12H25O-9-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-10-2 + CH3O2 = C12H25O-10-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / C12H25OO-11-2 + CH3O2 = C12H25O-11-2 + CH3O + O2 1.400E+16 -1.61 1.860E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C7H15OO-1-2 + C7H15OO-1-2 = C7H15O-1-2 + C7H15O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-1-2 + C7H15OO-2-2 = C7H15O-1-2 + C7H15O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-1-2 + C7H15OO-3-2 = C7H15O-1-2 + C7H15O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-1-2 + C7H15OO-4-2 = C7H15O-1-2 + C7H15O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-1-2 + C7H15OO-5-2 = C7H15O-1-2 + C7H15O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-1-2 + C7H15OO-6-2 = C7H15O-1-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! C7H15OO-2-2 + C7H15OO-2-2 = C7H15O-2-2 + C7H15O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-2-2 + C7H15OO-3-2 = C7H15O-2-2 + C7H15O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-2-2 + C7H15OO-4-2 = C7H15O-2-2 + C7H15O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-2-2 + C7H15OO-5-2 = C7H15O-2-2 + C7H15O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-2-2 + C7H15OO-6-2 = C7H15O-2-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! C7H15OO-3-2 + C7H15OO-3-2 = C7H15O-3-2 + C7H15O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-3-2 + C7H15OO-4-2 = C7H15O-3-2 + C7H15O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-3-2 + C7H15OO-5-2 = C7H15O-3-2 + C7H15O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-3-2 + C7H15OO-6-2 = C7H15O-3-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! C7H15OO-4-2 + C7H15OO-4-2 = C7H15O-4-2 + C7H15O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-4-2 + C7H15OO-5-2 = C7H15O-4-2 + C7H15O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-4-2 + C7H15OO-6-2 = C7H15O-4-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! C7H15OO-5-2 + C7H15OO-5-2 = C7H15O-5-2 + C7H15O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C7H15OO-5-2 + C7H15OO-6-2 = C7H15O-5-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! C7H15OO-6-2 + C7H15OO-6-2 = C7H15O-6-2 + C7H15O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! 2-METHYLHEPTANE ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C8H17OO-1-2 + C8H17OO-1-2 = C8H17O-1-2 + C8H17O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-2-2 = C8H17O-1-2 + C8H17O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-3-2 = C8H17O-1-2 + C8H17O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-4-2 = C8H17O-1-2 + C8H17O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-5-2 = C8H17O-1-2 + C8H17O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-6-2 = C8H17O-1-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-1-2 + C8H17OO-7-2 = C8H17O-1-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C8H17OO-2-2 + C8H17OO-2-2 = C8H17O-2-2 + C8H17O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + C8H17OO-3-2 = C8H17O-2-2 + C8H17O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + C8H17OO-4-2 = C8H17O-2-2 + C8H17O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + C8H17OO-5-2 = C8H17O-2-2 + C8H17O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + C8H17OO-6-2 = C8H17O-2-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-2-2 + C8H17OO-7-2 = C8H17O-2-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C8H17OO-3-2 + C8H17OO-3-2 = C8H17O-3-2 + C8H17O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-3-2 + C8H17OO-4-2 = C8H17O-3-2 + C8H17O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-3-2 + C8H17OO-5-2 = C8H17O-3-2 + C8H17O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-3-2 + C8H17OO-6-2 = C8H17O-3-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-3-2 + C8H17OO-7-2 = C8H17O-3-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! C8H17OO-4-2 + C8H17OO-4-2 = C8H17O-4-2 + C8H17O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-4-2 + C8H17OO-5-2 = C8H17O-4-2 + C8H17O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-4-2 + C8H17OO-6-2 = C8H17O-4-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-4-2 + C8H17OO-7-2 = C8H17O-4-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C8H17OO-5-2 + C8H17OO-5-2 = C8H17O-5-2 + C8H17O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-5-2 + C8H17OO-6-2 = C8H17O-5-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-5-2 + C8H17OO-7-2 = C8H17O-5-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C8H17OO-6-2 + C8H17OO-6-2 = C8H17O-6-2 + C8H17O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C8H17OO-6-2 + C8H17OO-7-2 = C8H17O-6-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C8H17OO-7-2 + C8H17OO-7-2 = C8H17O-7-2 + C8H17O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C9H19OO-1-2 + C9H19OO-1-2 = C9H19O-1-2 + C9H19O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-2-2 = C9H19O-1-2 + C9H19O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-3-2 = C9H19O-1-2 + C9H19O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-4-2 = C9H19O-1-2 + C9H19O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-5-2 = C9H19O-1-2 + C9H19O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-6-2 = C9H19O-1-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-7-2 = C9H19O-1-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-1-2 + C9H19OO-8-2 = C9H19O-1-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! C9H19OO-2-2 + C9H19OO-2-2 = C9H19O-2-2 + C9H19O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-3-2 = C9H19O-2-2 + C9H19O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-4-2 = C9H19O-2-2 + C9H19O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-5-2 = C9H19O-2-2 + C9H19O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-6-2 = C9H19O-2-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-7-2 = C9H19O-2-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-2-2 + C9H19OO-8-2 = C9H19O-2-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! C9H19OO-3-2 + C9H19OO-3-2 = C9H19O-3-2 + C9H19O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + C9H19OO-4-2 = C9H19O-3-2 + C9H19O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + C9H19OO-5-2 = C9H19O-3-2 + C9H19O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + C9H19OO-6-2 = C9H19O-3-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + C9H19OO-7-2 = C9H19O-3-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-3-2 + C9H19OO-8-2 = C9H19O-3-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! C9H19OO-4-2 + C9H19OO-4-2 = C9H19O-4-2 + C9H19O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-4-2 + C9H19OO-5-2 = C9H19O-4-2 + C9H19O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-4-2 + C9H19OO-6-2 = C9H19O-4-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-4-2 + C9H19OO-7-2 = C9H19O-4-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-4-2 + C9H19OO-8-2 = C9H19O-4-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! C9H19OO-5-2 + C9H19OO-6-2 = C9H19O-5-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-5-2 + C9H19OO-7-2 = C9H19O-5-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-5-2 + C9H19OO-8-2 = C9H19O-5-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! / C9H19OO-6-2 + C9H19OO-6-2 = C9H19O-6-2 + C9H19O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-6-2 + C9H19OO-7-2 = C9H19O-6-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-6-2 + C9H19OO-8-2 = C9H19O-6-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! / C9H19OO-7-2 + C9H19OO-7-2 = C9H19O-7-2 + C9H19O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C9H19OO-7-2 + C9H19OO-8-2 = C9H19O-7-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! C9H19OO-8-2 + C9H19OO-8-2 = C9H19O-8-2 + C9H19O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! 2-METHYLNONANE ! ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C10H21OO-1-2 + C10H21OO-1-2 = C10H21O-1-2 + C10H21O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-2-2 = C10H21O-1-2 + C10H21O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-3-2 = C10H21O-1-2 + C10H21O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-4-2 = C10H21O-1-2 + C10H21O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-5-2 = C10H21O-1-2 + C10H21O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-6-2 = C10H21O-1-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-7-2 = C10H21O-1-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-8-2 = C10H21O-1-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-1-2 + C10H21OO-9-2 = C10H21O-1-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C10H21OO-2-2 + C10H21OO-2-2 = C10H21O-2-2 + C10H21O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-3-2 = C10H21O-2-2 + C10H21O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-4-2 = C10H21O-2-2 + C10H21O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-5-2 = C10H21O-2-2 + C10H21O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-6-2 = C10H21O-2-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-7-2 = C10H21O-2-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-8-2 = C10H21O-2-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-2-2 + C10H21OO-9-2 = C10H21O-2-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! C10H21OO-3-2 + C10H21OO-3-2 = C10H21O-3-2 + C10H21O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-4-2 = C10H21O-3-2 + C10H21O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-5-2 = C10H21O-3-2 + C10H21O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-6-2 = C10H21O-3-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-7-2 = C10H21O-3-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-8-2 = C10H21O-3-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-3-2 + C10H21OO-9-2 = C10H21O-3-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! C10H21OO-4-2 + C10H21OO-4-2 = C10H21O-4-2 + C10H21O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + C10H21OO-5-2 = C10H21O-4-2 + C10H21O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + C10H21OO-6-2 = C10H21O-4-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + C10H21OO-7-2 = C10H21O-4-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + C10H21OO-8-2 = C10H21O-4-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-4-2 + C10H21OO-9-2 = C10H21O-4-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C10H21OO-5-2 + C10H21OO-5-2 = C10H21O-5-2 + C10H21O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-5-2 + C10H21OO-6-2 = C10H21O-5-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-5-2 + C10H21OO-7-2 = C10H21O-5-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-5-2 + C10H21OO-8-2 = C10H21O-5-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-5-2 + C10H21OO-9-2 = C10H21O-5-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! C10H21OO-6-2 + C10H21OO-6-2 = C10H21O-6-2 + C10H21O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-6-2 + C10H21OO-7-2 = C10H21O-6-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-6-2 + C10H21OO-8-2 = C10H21O-6-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-6-2 + C10H21OO-9-2 = C10H21O-6-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C10H21OO-7-2 + C10H21OO-7-2 = C10H21O-7-2 + C10H21O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-7-2 + C10H21OO-8-2 = C10H21O-7-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-7-2 + C10H21OO-9-2 = C10H21O-7-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C10H21OO-8-2 + C10H21OO-8-2 = C10H21O-8-2 + C10H21O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C10H21OO-8-2 + C10H21OO-9-2 = C10H21O-8-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C10H21OO-9-2 + C10H21OO-9-2 = C10H21O-9-2 + C10H21O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C11H23OO-1-2 + C11H23OO-1-2 = C11H23O-1-2 + C11H23O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-2-2 = C11H23O-1-2 + C11H23O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-3-2 = C11H23O-1-2 + C11H23O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-4-2 = C11H23O-1-2 + C11H23O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-5-2 = C11H23O-1-2 + C11H23O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-6-2 = C11H23O-1-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-7-2 = C11H23O-1-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-8-2 = C11H23O-1-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-9-2 = C11H23O-1-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-1-2 + C11H23OO-10-2 = C11H23O-1-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-2-2 + C11H23OO-2-2 = C11H23O-2-2 + C11H23O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-3-2 = C11H23O-2-2 + C11H23O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-4-2 = C11H23O-2-2 + C11H23O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-5-2 = C11H23O-2-2 + C11H23O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-6-2 = C11H23O-2-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-7-2 = C11H23O-2-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-8-2 = C11H23O-2-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-9-2 = C11H23O-2-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-2-2 + C11H23OO-10-2 = C11H23O-2-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C11H23OO-3-2 + C11H23OO-3-2 = C11H23O-3-2 + C11H23O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-4-2 = C11H23O-3-2 + C11H23O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-5-2 = C11H23O-3-2 + C11H23O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-6-2 = C11H23O-3-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-7-2 = C11H23O-3-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-8-2 = C11H23O-3-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-9-2 = C11H23O-3-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-3-2 + C11H23OO-10-2 = C11H23O-3-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-4-2 + C11H23OO-4-2 = C11H23O-4-2 + C11H23O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-5-2 = C11H23O-4-2 + C11H23O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-6-2 = C11H23O-4-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-7-2 = C11H23O-4-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-8-2 = C11H23O-4-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-9-2 = C11H23O-4-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-4-2 + C11H23OO-10-2 = C11H23O-4-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C11H23OO-5-2 + C11H23OO-5-2 = C11H23O-5-2 + C11H23O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + C11H23OO-6-2 = C11H23O-5-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + C11H23OO-7-2 = C11H23O-5-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + C11H23OO-8-2 = C11H23O-5-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + C11H23OO-9-2 = C11H23O-5-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-5-2 + C11H23OO-10-2 = C11H23O-5-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-6-2 + C11H23OO-6-2 = C11H23O-6-2 + C11H23O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-6-2 + C11H23OO-7-2 = C11H23O-6-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-6-2 + C11H23OO-8-2 = C11H23O-6-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-6-2 + C11H23OO-9-2 = C11H23O-6-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-6-2 + C11H23OO-10-2 = C11H23O-6-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-7-2 + C11H23OO-7-2 = C11H23O-7-2 + C11H23O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-7-2 + C11H23OO-8-2 = C11H23O-7-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-7-2 + C11H23OO-9-2 = C11H23O-7-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-7-2 + C11H23OO-10-2 = C11H23O-7-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-8-2 + C11H23OO-8-2 = C11H23O-8-2 + C11H23O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-8-2 + C11H23OO-9-2 = C11H23O-8-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-8-2 + C11H23OO-10-2 = C11H23O-8-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-9-2 + C11H23OO-9-2 = C11H23O-9-2 + C11H23O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C11H23OO-9-2 + C11H23OO-10-2 = C11H23O-9-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C11H23OO-10-2 + C11H23OO-10-2 = C11H23O-10-2 + C11H23O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY RADICALS ! ROO. + HOO. = ROOH + O2 ! ! ! C12H25OO-1-2 + C12H25OO-1-2 = C12H25O-1-2 + C12H25O-1-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-2-2 = C12H25O-1-2 + C12H25O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-3-2 = C12H25O-1-2 + C12H25O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-4-2 = C12H25O-1-2 + C12H25O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-5-2 = C12H25O-1-2 + C12H25O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-6-2 = C12H25O-1-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-7-2 = C12H25O-1-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-8-2 = C12H25O-1-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-9-2 = C12H25O-1-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-10-2 = C12H25O-1-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-1-2 + C12H25OO-11-2 = C12H25O-1-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C12H25OO-2-2 + C12H25OO-2-2 = C12H25O-2-2 + C12H25O-2-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-3-2 = C12H25O-2-2 + C12H25O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-4-2 = C12H25O-2-2 + C12H25O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-5-2 = C12H25O-2-2 + C12H25O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-6-2 = C12H25O-2-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-7-2 = C12H25O-2-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-8-2 = C12H25O-2-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-9-2 = C12H25O-2-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-10-2 = C12H25O-2-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-2-2 + C12H25OO-11-2 = C12H25O-2-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C12H25OO-3-2 + C12H25OO-3-2 = C12H25O-3-2 + C12H25O-3-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-4-2 = C12H25O-3-2 + C12H25O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-5-2 = C12H25O-3-2 + C12H25O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-6-2 = C12H25O-3-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-7-2 = C12H25O-3-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-8-2 = C12H25O-3-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-9-2 = C12H25O-3-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-10-2 = C12H25O-3-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-3-2 + C12H25OO-11-2 = C12H25O-3-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! C12H25OO-4-2 + C12H25OO-4-2 = C12H25O-4-2 + C12H25O-4-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-5-2 = C12H25O-4-2 + C12H25O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-6-2 = C12H25O-4-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-7-2 = C12H25O-4-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-8-2 = C12H25O-4-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-9-2 = C12H25O-4-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-10-2 = C12H25O-4-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-4-2 + C12H25OO-11-2 = C12H25O-4-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C12H25OO-5-2 + C12H25OO-5-2 = C12H25O-5-2 + C12H25O-5-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-6-2 = C12H25O-5-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-7-2 = C12H25O-5-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-8-2 = C12H25O-5-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-9-2 = C12H25O-5-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-10-2 = C12H25O-5-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-5-2 + C12H25OO-11-2 = C12H25O-5-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C12H25OO-6-2 + C12H25OO-6-2 = C12H25O-6-2 + C12H25O-6-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + C12H25OO-7-2 = C12H25O-6-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + C12H25OO-8-2 = C12H25O-6-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + C12H25OO-9-2 = C12H25O-6-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + C12H25OO-10-2 = C12H25O-6-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-6-2 + C12H25OO-11-2 = C12H25O-6-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C12H25OO-7-2 + C12H25OO-7-2 = C12H25O-7-2 + C12H25O-7-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-7-2 + C12H25OO-8-2 = C12H25O-7-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-7-2 + C12H25OO-9-2 = C12H25O-7-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-7-2 + C12H25OO-10-2 = C12H25O-7-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-7-2 + C12H25OO-11-2 = C12H25O-7-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! C12H25OO-8-2 + C12H25OO-8-2 = C12H25O-8-2 + C12H25O-8-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-8-2 + C12H25OO-9-2 = C12H25O-8-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-8-2 + C12H25OO-10-2 = C12H25O-8-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-8-2 + C12H25OO-11-2 = C12H25O-8-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! C12H25OO-9-2 + C12H25OO-9-2 = C12H25O-9-2 + C12H25O-9-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-9-2 + C12H25OO-10-2 = C12H25O-9-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-9-2 + C12H25OO-11-2 = C12H25O-9-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! C12H25OO-10-2 + C12H25OO-10-2 = C12H25O-10-2 + C12H25O-10-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / C12H25OO-10-2 + C12H25OO-11-2 = C12H25O-10-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! C12H25OO-11-2 + C12H25OO-11-2 = C12H25O-11-2 + C12H25O-11-2 + O2 1.40E+16 -1.61 1.86E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH !! C7H15OOH-1-2 = C7H15O-1-2 + OH 1.000E+16 0.00 3.900E+04 C7H15OOH-2-2 = C7H15O-2-2 + OH 1.000E+16 0.00 3.900E+04 C7H15OOH-3-2 = C7H15O-3-2 + OH 1.000E+16 0.00 3.900E+04 C7H15OOH-4-2 = C7H15O-4-2 + OH 1.000E+16 0.00 3.900E+04 C7H15OOH-5-2 = C7H15O-5-2 + OH 1.000E+16 0.00 3.900E+04 C7H15OOH-6-2 = C7H15O-6-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C8H17OOH-1-2 = C8H17O-1-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-2-2 = C8H17O-2-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-3-2 = C8H17O-3-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-4-2 = C8H17O-4-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-5-2 = C8H17O-5-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-6-2 = C8H17O-6-2 + OH 1.000E+16 0.00 3.900E+04 C8H17OOH-7-2 = C8H17O-7-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C9H19OOH-1-2 = C9H19O-1-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-2-2 = C9H19O-2-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-3-2 = C9H19O-3-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-4-2 = C9H19O-4-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-5-2 = C9H19O-5-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-6-2 = C9H19O-6-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-7-2 = C9H19O-7-2 + OH 1.000E+16 0.00 3.900E+04 C9H19OOH-8-2 = C9H19O-8-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C10H21OOH-1-2 = C10H21O-1-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-2-2 = C10H21O-2-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-3-2 = C10H21O-3-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-4-2 = C10H21O-4-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-5-2 = C10H21O-5-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-6-2 = C10H21O-6-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-7-2 = C10H21O-7-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-8-2 = C10H21O-8-2 + OH 1.000E+16 0.00 3.900E+04 C10H21OOH-9-2 = C10H21O-9-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C11H23OOH-1-2 = C11H23O-1-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-2-2 = C11H23O-2-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-3-2 = C11H23O-3-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-4-2 = C11H23O-4-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-5-2 = C11H23O-5-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-6-2 = C11H23O-6-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-7-2 = C11H23O-7-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-8-2 = C11H23O-8-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-9-2 = C11H23O-9-2 + OH 1.000E+16 0.00 3.900E+04 C11H23OOH-10-2 = C11H23O-10-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! CLASS 21 ! ! ROOH = RO + OH ! ! C12H25OOH-1-2 = C12H25O-1-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-2-2 = C12H25O-2-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-3-2 = C12H25O-3-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-4-2 = C12H25O-4-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-5-2 = C12H25O-5-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-6-2 = C12H25O-6-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-7-2 = C12H25O-7-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-8-2 = C12H25O-8-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-9-2 = C12H25O-9-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-10-2 = C12H25O-10-2 + OH 1.000E+16 0.00 3.900E+04 C12H25OOH-11-2 = C12H25O-11-2 + OH 1.000E+16 0.00 3.900E+04 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C6H13-2 = C7H15O-1-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / CH3COCH3 + PC4H9 = C7H15O-2-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / IC3H7CHO + NC3H7 = C7H15O-3-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / C2H5CHO + IC4H9 = C7H15O-4-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / CH3CHO + DC5H11 = C7H15O-5-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / CH2O + EC6H13 = C7H15O-6-2 1.00E+11 0 11900 REV / 0 0.00 0.00 / ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C7H15-2 = C8H17O-1-2 1.00E+11 0.00 11900 REV / 0.00 0.00 0.00 / CH3COCH3 + C5H11-1 = C8H17O-2-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / IC3H7CHO + PC4H9 = C8H17O-3-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / NC3H7CHO + IC4H9 = C8H17O-4-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / C2H5CHO + DC5H11 = C8H17O-5-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / CH3CHO + EC6H13 = C8H17O-6-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / CH2O + C7H15-2F = C8H17O-7-2 1.00E+11 0 11900 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C8H17-2 = C9H19O-1-2 1.00E+11 0 11900 CH3COCH3 + C6H13-1 = C9H19O-2-2 1.00E+11 0 11900 IC3H7CHO + C5H11-1 = C9H19O-3-2 1.00E+11 0 11900 NC4H9CHO + IC4H9 = C9H19O-4-2 1.00E+11 0 11900 NC3H7CHO + DC5H11 = C9H19O-5-2 1.00E+11 0 11900 C2H5CHO + EC6H13 = C9H19O-6-2 1.00E+11 0 11900 CH3CHO + C7H15-2F = C9H19O-7-2 1.00E+11 0 11900 CH2O + C8H17-2G = C9H19O-8-2 1.00E+11 0 11900 ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C9H19-2 = C10H21O-1-2 1.00E+11 0 11900 CH3COCH3 + C7H15-1 = C10H21O-2-2 1.00E+11 0 11900 IC3H7CHO + C6H13-1 = C10H21O-3-2 1.00E+11 0 11900 NC5H11CHO + IC4H9 = C10H21O-4-2 1.00E+11 0 11900 NC4H9CHO + DC5H11 = C10H21O-5-2 1.00E+11 0 11900 NC3H7CHO + EC6H13 = C10H21O-6-2 1.00E+11 0 11900 C2H5CHO + C7H15-2F = C10H21O-7-2 1.00E+11 0 11900 CH3CHO + C8H17-2G = C10H21O-8-2 1.00E+11 0 11900 CH2O + C9H19-2H = C10H21O-9-2 1.00E+11 0 11900 ! ! ! ! 2-METHYLDECANE ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C10H21-2 = C11H23O-1-2 1.00E+11 0 11900 CH3COCH3 + C8H17-1 = C11H23O-2-2 1.00E+11 0 11900 IC3H7CHO + C7H15-1 = C11H23O-3-2 1.00E+11 0 11900 NC6H13CHO + IC4H9 = C11H23O-4-2 1.00E+11 0 11900 NC5H11CHO + DC5H11 = C11H23O-5-2 1.00E+11 0 11900 NC4H9CHO + EC6H13 = C11H23O-6-2 1.00E+11 0 11900 NC3H7CHO + C7H15-2F = C11H23O-7-2 1.00E+11 0 11900 C2H5CHO + C8H17-2G = C11H23O-8-2 1.00E+11 0 11900 CH3CHO + C9H19-2H = C11H23O-9-2 1.00E+11 0 11900 CH2O + C10H21-2I = C11H23O-10-2 1.00E+11 0 11900 ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.) ! ! CH2O + C11H23-2 = C12H25O-1-2 1.00E+11 0 11900 CH3COCH3 + C9H19-1 = C12H25O-2-2 1.00E+11 0 11900 IC3H7CHO + C8H17-1 = C12H25O-3-2 1.00E+11 0 11900 NC7H15CHO + IC4H9 = C12H25O-4-2 1.00E+11 0 11900 NC6H13CHO + DC5H11 = C12H25O-5-2 1.00E+11 0 11900 NC5H11CHO + EC6H13 = C12H25O-6-2 1.00E+11 0 11900 NC4H9CHO + C7H15-2F = C12H25O-7-2 1.00E+11 0 11900 NC3H7CHO + C8H17-2G = C12H25O-8-2 1.00E+11 0 11900 C2H5CHO + C9H19-2H = C12H25O-9-2 1.00E+11 0 11900 CH3CHO + C10H21-2I = C12H25O-10-2 1.00E+11 0 11900 CH2O + C11H23-2J = C12H25O-11-2 1.00E+11 0 11900 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C7OOH1-2B = C7H14O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH2-2A = C7H14O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH2-2C = C7H14O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH3-2B = C7H14O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH3-2D = C7H14O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH4-2C = C7H14O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH4-2E = C7H14O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH5-2D = C7H14O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH5-2F = C7H14O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C7OOH6-2E = C7H14O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C7OOH1-2A = C7H14O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH1-2C = C7H14O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH2-2D = C7H14O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH3-2A = C7H14O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH3-2E = C7H14O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH4-2B = C7H14O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH4-2F = C7H14O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH5-2C = C7H14O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C7OOH6-2D = C7H14O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C7OOH1-2D = C7H14O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C7OOH2-2E = C7H14O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C7OOH3-2F = C7H14O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C7OOH4-2A = C7H14O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C7OOH5-2B = C7H14O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C7OOH6-2C = C7H14O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C7OOH1-2E = C7H14O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C7OOH2-2F = C7H14O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C7OOH5-2A = C7H14O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C7OOH6-2B = C7H14O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C8OOH1-2B = C8H16O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH2-2A = C8H16O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH2-2C = C8H16O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH3-2B = C8H16O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH3-2D = C8H16O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH4-2C = C8H16O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH4-2E = C8H16O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH5-2D = C8H16O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH5-2F = C8H16O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH6-2E = C8H16O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH6-2G = C8H16O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C8OOH7-2F = C8H16O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C8OOH1-2A = C8H16O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH1-2C = C8H16O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH2-2D = C8H16O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH3-2A = C8H16O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH3-2E = C8H16O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH4-2B = C8H16O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH4-2F = C8H16O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH5-2C = C8H16O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH5-2G = C8H16O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH6-2D = C8H16O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C8OOH7-2E = C8H16O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C8OOH1-2D = C8H16O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH2-2E = C8H16O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH3-2F = C8H16O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH4-2G = C8H16O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH4-2A = C8H16O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH5-2B = C8H16O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH6-2C = C8H16O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C8OOH7-2D = C8H16O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C8OOH1-2E = C8H16O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C8OOH2-2F = C8H16O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C8OOH3-2G = C8H16O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C8OOH5-2A = C8H16O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C8OOH6-2B = C8H16O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C8OOH7-2C = C8H16O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C9OOH1-2B = C9H18O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH2-2A = C9H18O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH2-2C = C9H18O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH3-2B = C9H18O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH3-2D = C9H18O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH4-2C = C9H18O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH4-2E = C9H18O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH5-2D = C9H18O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH5-2F = C9H18O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH6-2E = C9H18O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH6-2G = C9H18O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH7-2F = C9H18O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH7-2H = C9H18O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C9OOH8-2G = C9H18O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C9OOH1-2A = C9H18O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH1-2C = C9H18O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH2-2D = C9H18O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH3-2A = C9H18O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH3-2E = C9H18O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH4-2B = C9H18O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH4-2F = C9H18O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH5-2C = C9H18O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH5-2G = C9H18O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH6-2D = C9H18O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH6-2H = C9H18O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH7-2E = C9H18O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C9OOH8-2F = C9H18O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C9OOH1-2D = C9H18O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH2-2E = C9H18O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH3-2F = C9H18O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH4-2G = C9H18O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH5-2H = C9H18O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH4-2A = C9H18O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH5-2B = C9H18O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH6-2C = C9H18O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH7-2D = C9H18O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C9OOH8-2E = C9H18O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C9OOH1-2E = C9H18O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH2-2F = C9H18O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH3-2G = C9H18O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH4-2H = C9H18O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH5-2A = C9H18O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH6-2B = C9H18O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH7-2C = C9H18O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C9OOH8-2D = C9H18O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C10OOH1-2B = C10H20O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH2-2A = C10H20O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH2-2C = C10H20O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH3-2B = C10H20O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH3-2D = C10H20O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH4-2C = C10H20O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH4-2E = C10H20O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH5-2D = C10H20O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH5-2F = C10H20O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH6-2E = C10H20O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH6-2G = C10H20O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH7-2F = C10H20O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH7-2H = C10H20O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH8-2G = C10H20O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH8-2I = C10H20O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C10OOH9-2H = C10H20O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C10OOH1-2A = C10H20O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH1-2C = C10H20O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH2-2D = C10H20O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH3-2A = C10H20O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH3-2E = C10H20O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH4-2B = C10H20O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH4-2F = C10H20O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH5-2C = C10H20O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH5-2G = C10H20O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH6-2D = C10H20O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH6-2H = C10H20O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH7-2E = C10H20O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH7-2I = C10H20O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH8-2F = C10H20O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C10OOH9-2G = C10H20O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C10OOH1-2D = C10H20O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH2-2E = C10H20O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH3-2F = C10H20O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH4-2G = C10H20O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH5-2H = C10H20O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH6-2I = C10H20O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH4-2A = C10H20O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH5-2B = C10H20O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH6-2C = C10H20O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH7-2D = C10H20O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH8-2E = C10H20O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C10OOH9-2F = C10H20O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C10OOH1-2E = C10H20O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH2-2F = C10H20O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH3-2G = C10H20O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH4-2H = C10H20O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH5-2I = C10H20O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH5-2A = C10H20O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH6-2B = C10H20O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH7-2C = C10H20O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH8-2D = C10H20O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C10OOH9-2E = C10H20O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C11OOH1-2B = C11H22O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH2-2A = C11H22O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH2-2C = C11H22O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH3-2B = C11H22O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH3-2D = C11H22O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH4-2C = C11H22O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH4-2E = C11H22O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH5-2D = C11H22O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH5-2F = C11H22O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH6-2E = C11H22O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH6-2G = C11H22O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH7-2F = C11H22O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH7-2H = C11H22O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH8-2G = C11H22O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH8-2I = C11H22O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH9-2H = C11H22O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH9-2J = C11H22O9-10-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C11OOH10-2I = C11H22O9-10-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C11OOH1-2A = C11H22O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH1-2C = C11H22O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH2-2D = C11H22O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH3-2A = C11H22O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH3-2E = C11H22O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH4-2B = C11H22O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH4-2F = C11H22O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH5-2C = C11H22O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH5-2G = C11H22O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH6-2D = C11H22O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH6-2H = C11H22O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH7-2E = C11H22O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH7-2I = C11H22O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH8-2F = C11H22O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH8-2J = C11H22O8-10-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH9-2G = C11H22O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C11OOH10-2H = C11H22O8-10-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C11OOH1-2D = C11H22O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH2-2E = C11H22O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH3-2F = C11H22O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH4-2G = C11H22O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH5-2H = C11H22O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH6-2I = C11H22O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH7-2J = C11H22O7-10-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH4-2A = C11H22O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH5-2B = C11H22O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH6-2C = C11H22O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH7-2D = C11H22O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH8-2E = C11H22O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH9-2F = C11H22O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C11OOH10-2G = C11H22O7-10-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C11OOH1-2E = C11H22O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH2-2F = C11H22O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH3-2G = C11H22O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH4-2H = C11H22O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH5-2I = C11H22O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH6-2G = C11H22O6-10-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH5-2A = C11H22O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH6-2B = C11H22O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH7-2C = C11H22O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH8-2D = C11H22O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH9-2E = C11H22O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C11OOH10-2F = C11H22O6-10-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH ! .QOOH = QO + OH ! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE REACTION RATES ARE DETERMINED BASED ON THE RING SIZE ! ! 3 MEMBER RINGS C12OOH1-2B = C12H24O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH2-2A = C12H24O1-2-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH2-2C = C12H24O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH3-2B = C12H24O2-3-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH3-2D = C12H24O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH4-2C = C12H24O3-4-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH4-2E = C12H24O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH5-2D = C12H24O4-5-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH5-2F = C12H24O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH6-2E = C12H24O5-6-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH6-2G = C12H24O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH7-2F = C12H24O6-7-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH7-2H = C12H24O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH8-2G = C12H24O7-8-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH8-2I = C12H24O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH9-2H = C12H24O8-9-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH9-2J = C12H24O9-10-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH10-2I = C12H24O9-10-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH10-2K = C12H24O10-11-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / C12OOH11-2J = C12H24O10-11-2 + OH 6.00E+11 0.00 2.20E+04 REV / 0.00 0.00 0.00 / ! ! 4 MEMBER RINGS C12OOH1-2A = C12H24O1-1-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH1-2C = C12H24O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH2-2D = C12H24O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH3-2A = C12H24O1-3-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH3-2E = C12H24O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH4-2B = C12H24O2-4-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH4-2F = C12H24O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH5-2C = C12H24O3-5-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH5-2G = C12H24O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH6-2D = C12H24O4-6-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH6-2H = C12H24O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH7-2E = C12H24O5-7-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH7-2I = C12H24O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH8-2F = C12H24O6-8-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH8-2J = C12H24O8-10-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH9-2G = C12H24O7-9-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH9-2K = C12H24O9-11-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH10-2H = C12H24O8-10-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / C12OOH11-2I = C12H24O9-11-2 + OH 7.50E+10 0.00 1.53E+04 REV / 0.00 0.00 0.00 / ! ! 5 MEMBER RINGS C12OOH1-2D = C12H24O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH2-2E = C12H24O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH3-2F = C12H24O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH4-2G = C12H24O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH5-2H = C12H24O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH6-2I = C12H24O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH7-2J = C12H24O7-10-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH8-2K = C12H24O8-11-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH4-2A = C12H24O1-4-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH5-2B = C12H24O2-5-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH6-2C = C12H24O3-6-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH7-2D = C12H24O4-7-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH8-2E = C12H24O5-8-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH9-2F = C12H24O6-9-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH10-2G = C12H24O7-10-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / C12OOH11-2H = C12H24O8-11-2 + OH 9.38E+09 0.00 7.00E+03 REV / 0.00 0.00 0.00 / ! ! 6 MEMBER RINGS C12OOH1-2E = C12H24O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH2-2F = C12H24O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH3-2G = C12H24O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH4-2H = C12H24O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH5-2I = C12H24O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH6-2J = C12H24O6-10-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH7-2K = C12H24O7-11-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH5-2A = C12H24O1-5-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH6-2B = C12H24O2-6-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH7-2C = C12H24O3-7-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH8-2D = C12H24O4-8-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH9-2E = C12H24O5-9-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH10-2F = C12H24O6-10-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / C12OOH11-2G = C12H24O7-11-2 + OH 1.17E+09 0.00 1.80E+03 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! ! ! C7H14-1-2 + HO2 = C7OOH1-2B 1.00E+11 0 1.19E+04 ! C7H14-1-2 + HO2 = C7OOH2-2A 1.00E+11 0 1.19E+04 ! C7H14-2-2 + HO2 = C7OOH2-2C 1.00E+11 0 1.19E+04 ! C7H14-2-2 + HO2 = C7OOH3-2B 1.00E+11 0 1.19E+04 ! C7H14-3-2 + HO2 = C7OOH3-2D 1.00E+11 0 1.19E+04 ! C7H14-3-2 + HO2 = C7OOH4-2C 1.00E+11 0 1.19E+04 ! C7H14-4-2 + HO2 = C7OOH4-2E 1.00E+11 0 1.19E+04 ! C7H14-4-2 + HO2 = C7OOH5-2D 1.00E+11 0 1.19E+04 ! C7H14-5-2 + HO2 = C7OOH5-2F 1.00E+11 0 1.19E+04 ! C7H14-5-2 + HO2 = C7OOH6-2E 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! C8H16-1-2 + HO2 = C8OOH1-2B 1.00E+11 0 1.19E+04 ! C8H16-1-2 + HO2 = C8OOH2-2A 1.00E+11 0 1.19E+04 ! C8H16-2-2 + HO2 = C8OOH2-2C 1.00E+11 0 1.19E+04 ! C8H16-2-2 + HO2 = C8OOH3-2B 1.00E+11 0 1.19E+04 ! C8H16-3-2 + HO2 = C8OOH3-2D 1.00E+11 0 1.19E+04 ! C8H16-3-2 + HO2 = C8OOH4-2C 1.00E+11 0 1.19E+04 ! C8H16-4-2 + HO2 = C8OOH4-2E 1.00E+11 0 1.19E+04 ! C8H16-4-2 + HO2 = C8OOH5-2D 1.00E+11 0 1.19E+04 ! C8H16-5-2 + HO2 = C8OOH5-2F 1.00E+11 0 1.19E+04 ! C8H16-5-2 + HO2 = C8OOH6-2E 1.00E+11 0 1.19E+04 ! C8H16-6-2 + HO2 = C8OOH6-2G 1.00E+11 0 1.19E+04 ! C8H16-6-2 + HO2 = C8OOH7-2F 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! ! ! ! C9H18-1-2 + HO2 = C9OOH1-2B 1.00E+11 0 1.19E+04 ! C9H18-1-2 + HO2 = C9OOH2-2A 1.00E+11 0 1.19E+04 ! C9H18-2-2 + HO2 = C9OOH2-2C 1.00E+11 0 1.19E+04 ! C9H18-2-2 + HO2 = C9OOH3-2B 1.00E+11 0 1.19E+04 ! C9H18-3-2 + HO2 = C9OOH3-2D 1.00E+11 0 1.19E+04 ! C9H18-3-2 + HO2 = C9OOH4-2C 1.00E+11 0 1.19E+04 ! C9H18-4-2 + HO2 = C9OOH4-2E 1.00E+11 0 1.19E+04 ! C9H18-4-2 + HO2 = C9OOH5-2D 1.00E+11 0 1.19E+04 ! C9H18-5-2 + HO2 = C9OOH5-2F 1.00E+11 0 1.19E+04 ! C9H18-5-2 + HO2 = C9OOH6-2E 1.00E+11 0 1.19E+04 ! C9H18-6-2 + HO2 = C9OOH6-2G 1.00E+11 0 1.19E+04 ! C9H18-6-2 + HO2 = C9OOH7-2F 1.00E+11 0 1.19E+04 ! C9H18-7-2 + HO2 = C9OOH7-2H 1.00E+11 0 1.19E+04 ! C9H18-7-2 + HO2 = C9OOH8-2G 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! C10H20-1-2 + HO2 = C10OOH1-2B 1.00E+11 0 1.19E+04 ! C10H20-1-2 + HO2 = C10OOH2-2A 1.00E+11 0 1.19E+04 ! C10H20-2-2 + HO2 = C10OOH2-2C 1.00E+11 0 1.19E+04 ! C10H20-2-2 + HO2 = C10OOH3-2B 1.00E+11 0 1.19E+04 ! C10H20-3-2 + HO2 = C10OOH3-2D 1.00E+11 0 1.19E+04 ! C10H20-3-2 + HO2 = C10OOH4-2C 1.00E+11 0 1.19E+04 ! C10H20-4-2 + HO2 = C10OOH4-2E 1.00E+11 0 1.19E+04 ! C10H20-4-2 + HO2 = C10OOH5-2D 1.00E+11 0 1.19E+04 ! C10H20-5-2 + HO2 = C10OOH5-2F 1.00E+11 0 1.19E+04 ! C10H20-5-2 + HO2 = C10OOH6-2E 1.00E+11 0 1.19E+04 ! C10H20-6-2 + HO2 = C10OOH6-2G 1.00E+11 0 1.19E+04 ! C10H20-6-2 + HO2 = C10OOH7-2F 1.00E+11 0 1.19E+04 ! C10H20-7-2 + HO2 = C10OOH7-2H 1.00E+11 0 1.19E+04 ! C10H20-7-2 + HO2 = C10OOH8-2G 1.00E+11 0 1.19E+04 ! C10H20-8-2 + HO2 = C10OOH8-2I 1.00E+11 0 1.19E+04 ! C10H20-8-2 + HO2 = C10OOH9-2H 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! C11H22-1-2 + HO2 = C11OOH1-2B 1.00E+11 0 1.19E+04 ! C11H22-1-2 + HO2 = C11OOH2-2A 1.00E+11 0 1.19E+04 ! C11H22-2-2 + HO2 = C11OOH2-2C 1.00E+11 0 1.19E+04 ! C11H22-2-2 + HO2 = C11OOH3-2B 1.00E+11 0 1.19E+04 ! C11H22-3-2 + HO2 = C11OOH3-2D 1.00E+11 0 1.19E+04 ! C11H22-3-2 + HO2 = C11OOH4-2C 1.00E+11 0 1.19E+04 ! C11H22-4-2 + HO2 = C11OOH4-2E 1.00E+11 0 1.19E+04 ! C11H22-4-2 + HO2 = C11OOH5-2D 1.00E+11 0 1.19E+04 ! C11H22-5-2 + HO2 = C11OOH5-2F 1.00E+11 0 1.19E+04 ! C11H22-5-2 + HO2 = C11OOH6-2E 1.00E+11 0 1.19E+04 ! C11H22-6-2 + HO2 = C11OOH6-2G 1.00E+11 0 1.19E+04 ! C11H22-6-2 + HO2 = C11OOH7-2F 1.00E+11 0 1.19E+04 ! C11H22-7-2 + HO2 = C11OOH7-2H 1.00E+11 0 1.19E+04 ! C11H22-7-2 + HO2 = C11OOH8-2G 1.00E+11 0 1.19E+04 ! C11H22-8-2 + HO2 = C11OOH8-2I 1.00E+11 0 1.19E+04 ! C11H22-8-2 + HO2 = C11OOH9-2H 1.00E+11 0 1.19E+04 ! C11H22-9-2 + HO2 = C11OOH9-2J 1.00E+11 0 1.19E+04 ! C11H22-9-2 + HO2 = C11OOH10-2I 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP DECOMPOSE TO AN ALKENE AND HO2 ! .QOOH = ALKENE + HO2 ! ! C12H24-1-2 + HO2 = C12OOH1-2B 1.00E+11 0 1.19E+04 ! ! C12H24-1-2 + HO2 = C12OOH2-2A 1.00E+11 0 1.19E+04 ! C12H24-2-2 + HO2 = C12OOH2-2C 1.00E+11 0 1.19E+04 ! C12H24-2-2 + HO2 = C12OOH3-2B 1.00E+11 0 1.19E+04 ! C12H24-3-2 + HO2 = C12OOH3-2D 1.00E+11 0 1.19E+04 ! C12H24-3-2 + HO2 = C12OOH4-2C 1.00E+11 0 1.19E+04 ! C12H24-4-2 + HO2 = C12OOH4-2E 1.00E+11 0 1.19E+04 ! C12H24-4-2 + HO2 = C12OOH5-2D 1.00E+11 0 1.19E+04 ! C12H24-5-2 + HO2 = C12OOH5-2F 1.00E+11 0 1.19E+04 ! C12H24-5-2 + HO2 = C12OOH6-2E 1.00E+11 0 1.19E+04 ! C12H24-6-2 + HO2 = C12OOH6-2G 1.00E+11 0 1.19E+04 ! C12H24-6-2 + HO2 = C12OOH7-2F 1.00E+11 0 1.19E+04 ! C12H24-7-2 + HO2 = C12OOH7-2H 1.00E+11 0 1.19E+04 ! C12H24-7-2 + HO2 = C12OOH8-2G 1.00E+11 0 1.19E+04 ! C12H24-8-2 + HO2 = C12OOH8-2I 1.00E+11 0 1.19E+04 ! C12H24-8-2 + HO2 = C12OOH9-2H 1.00E+11 0 1.19E+04 ! C12H24-9-2 + HO2 = C12OOH9-2J 1.00E+11 0 1.19E+04 ! C12H24-9-2 + HO2 = C12OOH10-2I 1.00E+11 0 1.19E+04 ! C12H24-10-2 + HO2 = C12OOH10-2K 1.00E+11 0 1.19E+04 ! C12H24-10-2 + HO2 = C12OOH11-2J 1.00E+11 0 1.19E+04 ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C7OOH1-2A = C6H12-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH1-2C = C6H12-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH2-2D = C4H8-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH3-2E = C3H6 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH3-2A = C3H6 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH4-2B = IC4H8 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH4-2F = C2H4 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH5-2C = CC5H10 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C7OOH6-2D = DC6H12 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! ! ! 2-METHYLHEPTANE ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C8OOH1-2A = C7H14-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH1-2C = C7H14-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH2-2D = C5H10-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH3-2E = C4H8-1 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH3-2A = C3H6 + NC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH4-2B = IC4H8 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH4-2F = C3H6 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH5-2C = CC5H10 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH5-2G = C2H4 + IC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH6-2D = DC6H12 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C8OOH7-2E = C7H14-5-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! 2-METHYLOCTANE ! ! ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C9OOH1-2A = C8H16-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH1-2C = C8H16-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH2-2D = C6H12-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH3-2E = C5H10-1 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH3-2A = C3H6 + NC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH4-2B = IC4H8 + NC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH4-2F = C4H8-1 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH5-2C = CC5H10 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH5-2G = C3H6 + IC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH6-2D = DC6H12 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH6-2H = C2H4 + IC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH7-2E = C7H14-5-2 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C9OOH8-2F = C8H16-6-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! ! 2-METHYLNONANE ! ! ! ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C10OOH1-2A = C9H18-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH1-2C = C9H18-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH2-2D = C7H14-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH3-2E = C6H12-1 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH3-2A = C3H6 + NC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH4-2B = IC4H8 + NC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH4-2F = C5H10-1 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH5-2C = CC5H10 + NC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH5-2G = C4H8-1 + IC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH6-2D = DC6H12 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH6-2H = C3H6 + IC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH7-2E = C7H14-5-2 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH7-2I = C2H4 + IC7H15CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH8-2F = C8H16-6-2 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C10OOH9-2G = C9H18-7-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! ! ! ! 2-METHYLDECANE ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C11OOH1-2A = C10H20-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH1-2C = C10H20-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH2-2D = C8H16-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH3-2E = C7H14-1 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH3-2A = C3H6 + NC7H15CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH4-2B = IC4H8 + NC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH4-2F = C6H12-1 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH5-2C = CC5H10 + NC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH5-2G = C5H10-1 + IC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH6-2D = DC6H12 + NC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH6-2H = C4H8-1 + IC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH7-2E = C7H14-5-2 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH7-2I = C3H6 + IC7H15CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH8-2F = C8H16-6-2 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH8-2J = C2H4 + IC8H17CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH9-2G = C9H18-7-2 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C11OOH10-2H = C10H20-8-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! 2-METHYLUNDECANE ! ! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION ! .QOOH = ALKENE + CARBONYL + OH ! ! C12OOH1-2A = C11H22-1 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH1-2C = C11H22-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH2-2D = C9H18-1 + CH3COCH3 + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH3-2E = C8H16-1 + IC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH3-2A = C3H6 + NC8H17CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH4-2B = IC4H8 + NC7H15CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH4-2F = C7H14-1 + IC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH5-2C = CC5H10 + NC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH5-2G = C6H12-1 + IC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH6-2D = DC6H12 + NC5H11CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH6-2H = C5H10-1 + IC6H13CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH7-2E = C7H14-5-2 + NC4H9CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH7-2I = C4H8-1 + IC7H15CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH8-2F = C8H16-6-2 + NC3H7CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH8-2J = C3H6 + IC8H17CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH9-2G = C9H18-7-2 + C2H5CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH9-2K = C2H4 + IC9H19CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH10-2H = C10H20-8-2 + CH3CHO + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / C12OOH11-2I = C11H22-9-2 + CH2O + OH 1.00E+13 0.00 3.0E+04 REV / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! CLASS 26 ADDITION OF CLASS O2 AND .QOOH TO FORM PEROXYALKYLHYDROPEROXIDE SPECIES ! C7OOH1-2A + O2 = C7OOH1-OO1-2 4.52E+12 0 0 C7OOH1-2B + O2 = C7OOH1-OO2-2 1.41E+13 0 0 C7OOH1-2C + O2 = C7OOH1-OO3-2 7.54E+12 0 0 C7OOH1-2D + O2 = C7OOH1-OO4-2 7.54E+12 0 0 C7OOH1-2E + O2 = C7OOH1-OO5-2 7.54E+12 0 0 C7OOH2-2A + O2 = C7OOH2-OO1-2 4.52E+12 0 0 C7OOH2-2C + O2 = C7OOH2-OO3-2 7.54E+12 0 0 C7OOH2-2D + O2 = C7OOH2-OO4-2 7.54E+12 0 0 C7OOH2-2E + O2 = C7OOH2-OO5-2 7.54E+12 0 0 C7OOH2-2F + O2 = C7OOH2-OO6-2 4.52E+12 0 0 C7OOH3-2A + O2 = C7OOH3-OO1-2 4.52E+12 0 0 C7OOH3-2B + O2 = C7OOH3-OO2-2 1.41E+13 0 0 C7OOH3-2D + O2 = C7OOH3-OO4-2 7.54E+12 0 0 C7OOH3-2E + O2 = C7OOH3-OO5-2 7.54E+12 0 0 C7OOH3-2F + O2 = C7OOH3-OO6-2 4.52E+12 0 0 C7OOH4-2A + O2 = C7OOH4-OO1-2 4.52E+12 0 0 C7OOH4-2B + O2 = C7OOH4-OO2-2 1.41E+13 0 0 C7OOH4-2C + O2 = C7OOH4-OO3-2 7.54E+12 0 0 C7OOH4-2E + O2 = C7OOH4-OO5-2 7.54E+12 0 0 C7OOH4-2F + O2 = C7OOH4-OO6-2 4.52E+12 0 0 C7OOH5-2A + O2 = C7OOH5-OO1-2 4.52E+12 0 0 C7OOH5-2B + O2 = C7OOH5-OO2-2 1.41E+13 0 0 C7OOH5-2C + O2 = C7OOH5-OO3-2 7.54E+12 0 0 C7OOH5-2D + O2 = C7OOH5-OO4-2 7.54E+12 0 0 C7OOH5-2F + O2 = C7OOH5-OO6-2 4.52E+12 0 0 C7OOH6-2B + O2 = C7OOH6-OO2-2 1.41E+13 0 0 C7OOH6-2C + O2 = C7OOH6-OO3-2 7.54E+12 0 0 C7OOH6-2D + O2 = C7OOH6-OO4-2 7.54E+12 0 0 C7OOH6-2E + O2 = C7OOH6-OO5-2 7.54E+12 0 0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! C8OOH1-2A + O2 = C8OOH1-OO1-2 4.52E+12 0 0 C8OOH1-2B + O2 = C8OOH1-OO2-2 1.41E+13 0 0 C8OOH1-2C + O2 = C8OOH1-OO3-2 7.54E+12 0 0 C8OOH1-2D + O2 = C8OOH1-OO4-2 7.54E+12 0 0 C8OOH1-2E + O2 = C8OOH1-OO5-2 7.54E+12 0 0 C8OOH2-2A + O2 = C8OOH2-OO1-2 4.52E+12 0 0 C8OOH2-2C + O2 = C8OOH2-OO3-2 7.54E+12 0 0 C8OOH2-2D + O2 = C8OOH2-OO4-2 7.54E+12 0 0 C8OOH2-2E + O2 = C8OOH2-OO5-2 7.54E+12 0 0 C8OOH2-2F + O2 = C8OOH2-OO6-2 7.54E+12 0 0 C8OOH3-2A + O2 = C8OOH3-OO1-2 4.52E+12 0 0 C8OOH3-2B + O2 = C8OOH3-OO2-2 1.41E+13 0 0 C8OOH3-2D + O2 = C8OOH3-OO4-2 7.54E+12 0 0 C8OOH3-2E + O2 = C8OOH3-OO5-2 7.54E+12 0 0 C8OOH3-2F + O2 = C8OOH3-OO6-2 7.54E+12 0 0 C8OOH3-2G + O2 = C8OOH3-OO7-2 4.52E+12 0 0 C8OOH4-2A + O2 = C8OOH4-OO1-2 4.52E+12 0 0 C8OOH4-2B + O2 = C8OOH4-OO2-2 1.41E+13 0 0 C8OOH4-2C + O2 = C8OOH4-OO3-2 7.54E+12 0 0 C8OOH4-2E + O2 = C8OOH4-OO5-2 7.54E+12 0 0 C8OOH4-2F + O2 = C8OOH4-OO6-2 7.54E+12 0 0 C8OOH4-2G + O2 = C8OOH4-OO7-2 4.52E+12 0 0 C8OOH5-2A + O2 = C8OOH5-OO1-2 4.52E+12 0 0 C8OOH5-2B + O2 = C8OOH5-OO2-2 1.41E+13 0 0 C8OOH5-2C + O2 = C8OOH5-OO3-2 7.54E+12 0 0 C8OOH5-2D + O2 = C8OOH5-OO4-2 7.54E+12 0 0 C8OOH5-2F + O2 = C8OOH5-OO6-2 7.54E+12 0 0 C8OOH5-2G + O2 = C8OOH5-OO7-2 4.52E+12 0 0 C8OOH6-2B + O2 = C8OOH6-OO2-2 1.41E+13 0 0 C8OOH6-2C + O2 = C8OOH6-OO3-2 7.54E+12 0 0 C8OOH6-2D + O2 = C8OOH6-OO4-2 7.54E+12 0 0 C8OOH6-2E + O2 = C8OOH6-OO5-2 7.54E+12 0 0 C8OOH6-2G + O2 = C8OOH6-OO7-2 4.52E+12 0 0 C8OOH7-2C + O2 = C8OOH7-OO3-2 7.54E+12 0 0 C8OOH7-2D + O2 = C8OOH7-OO4-2 7.54E+12 0 0 C8OOH7-2E + O2 = C8OOH7-OO5-2 7.54E+12 0 0 C8OOH7-2F + O2 = C8OOH7-OO6-2 7.54E+12 0 0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! ! ! ! C9OOH1-2A + O2 = C9OOH1-OO1-2 4.52E+12 0 0 C9OOH1-2B + O2 = C9OOH1-OO2-2 1.41E+13 0 0 C9OOH1-2C + O2 = C9OOH1-OO3-2 7.54E+12 0 0 C9OOH1-2D + O2 = C9OOH1-OO4-2 7.54E+12 0 0 C9OOH1-2E + O2 = C9OOH1-OO5-2 7.54E+12 0 0 C9OOH2-2A + O2 = C9OOH2-OO1-2 4.52E+12 0 0 C9OOH2-2C + O2 = C9OOH2-OO3-2 7.54E+12 0 0 C9OOH2-2D + O2 = C9OOH2-OO4-2 7.54E+12 0 0 C9OOH2-2E + O2 = C9OOH2-OO5-2 7.54E+12 0 0 C9OOH2-2F + O2 = C9OOH2-OO6-2 7.54E+12 0 0 C9OOH3-2A + O2 = C9OOH3-OO1-2 4.52E+12 0 0 C9OOH3-2B + O2 = C9OOH3-OO2-2 1.41E+13 0 0 C9OOH3-2D + O2 = C9OOH3-OO4-2 7.54E+12 0 0 C9OOH3-2E + O2 = C9OOH3-OO5-2 7.54E+12 0 0 C9OOH3-2F + O2 = C9OOH3-OO6-2 7.54E+12 0 0 C9OOH3-2G + O2 = C9OOH3-OO7-2 7.54E+12 0 0 C9OOH4-2A + O2 = C9OOH4-OO1-2 4.52E+12 0 0 C9OOH4-2B + O2 = C9OOH4-OO2-2 1.41E+13 0 0 C9OOH4-2C + O2 = C9OOH4-OO3-2 7.54E+12 0 0 C9OOH4-2E + O2 = C9OOH4-OO5-2 7.54E+12 0 0 C9OOH4-2F + O2 = C9OOH4-OO6-2 7.54E+12 0 0 C9OOH4-2G + O2 = C9OOH4-OO7-2 7.54E+12 0 0 C9OOH4-2H + O2 = C9OOH4-OO8-2 4.52E+12 0 0 C9OOH5-2A + O2 = C9OOH5-OO1-2 4.52E+12 0 0 C9OOH5-2B + O2 = C9OOH5-OO2-2 1.41E+13 0 0 C9OOH5-2C + O2 = C9OOH5-OO3-2 7.54E+12 0 0 C9OOH5-2D + O2 = C9OOH5-OO4-2 7.54E+12 0 0 C9OOH5-2F + O2 = C9OOH5-OO6-2 7.54E+12 0 0 C9OOH5-2G + O2 = C9OOH5-OO7-2 7.54E+12 0 0 C9OOH5-2H + O2 = C9OOH5-OO8-2 4.52E+12 0 0 C9OOH6-2B + O2 = C9OOH6-OO2-2 1.41E+13 0 0 C9OOH6-2C + O2 = C9OOH6-OO3-2 7.54E+12 0 0 C9OOH6-2D + O2 = C9OOH6-OO4-2 7.54E+12 0 0 C9OOH6-2E + O2 = C9OOH6-OO5-2 7.54E+12 0 0 C9OOH6-2G + O2 = C9OOH6-OO7-2 7.54E+12 0 0 C9OOH6-2H + O2 = C9OOH6-OO8-2 4.52E+12 0 0 C9OOH7-2C + O2 = C9OOH7-OO3-2 7.54E+12 0 0 C9OOH7-2D + O2 = C9OOH7-OO4-2 7.54E+12 0 0 C9OOH7-2E + O2 = C9OOH7-OO5-2 7.54E+12 0 0 C9OOH7-2F + O2 = C9OOH7-OO6-2 7.54E+12 0 0 C9OOH7-2H + O2 = C9OOH7-OO8-2 4.52E+12 0 0 C9OOH8-2D + O2 = C9OOH8-OO4-2 7.54E+12 0 0 C9OOH8-2E + O2 = C9OOH8-OO5-2 7.54E+12 0 0 C9OOH8-2F + O2 = C9OOH8-OO6-2 7.54E+12 0 0 C9OOH8-2G + O2 = C9OOH8-OO7-2 7.54E+12 0 0 ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! C10OOH1-2A + O2 = C10OOH1-OO1-2 4.52E+12 0 0 C10OOH1-2B + O2 = C10OOH1-OO2-2 1.41E+13 0 0 C10OOH1-2C + O2 = C10OOH1-OO3-2 7.54E+12 0 0 C10OOH1-2D + O2 = C10OOH1-OO4-2 7.54E+12 0 0 C10OOH1-2E + O2 = C10OOH1-OO5-2 7.54E+12 0 0 C10OOH2-2A + O2 = C10OOH2-OO1-2 4.52E+12 0 0 C10OOH2-2C + O2 = C10OOH2-OO3-2 7.54E+12 0 0 C10OOH2-2D + O2 = C10OOH2-OO4-2 7.54E+12 0 0 C10OOH2-2E + O2 = C10OOH2-OO5-2 7.54E+12 0 0 C10OOH2-2F + O2 = C10OOH2-OO6-2 7.54E+12 0 0 C10OOH3-2A + O2 = C10OOH3-OO1-2 4.52E+12 0 0 C10OOH3-2B + O2 = C10OOH3-OO2-2 1.41E+13 0 0 C10OOH3-2D + O2 = C10OOH3-OO4-2 7.54E+12 0 0 C10OOH3-2E + O2 = C10OOH3-OO5-2 7.54E+12 0 0 C10OOH3-2F + O2 = C10OOH3-OO6-2 7.54E+12 0 0 C10OOH3-2G + O2 = C10OOH3-OO7-2 7.54E+12 0 0 C10OOH4-2A + O2 = C10OOH4-OO1-2 4.52E+12 0 0 C10OOH4-2B + O2 = C10OOH4-OO2-2 1.41E+13 0 0 C10OOH4-2C + O2 = C10OOH4-OO3-2 7.54E+12 0 0 C10OOH4-2E + O2 = C10OOH4-OO5-2 7.54E+12 0 0 C10OOH4-2F + O2 = C10OOH4-OO6-2 7.54E+12 0 0 C10OOH4-2G + O2 = C10OOH4-OO7-2 7.54E+12 0 0 C10OOH4-2H + O2 = C10OOH4-OO8-2 7.54E+12 0 0 C10OOH5-2A + O2 = C10OOH5-OO1-2 4.52E+12 0 0 C10OOH5-2B + O2 = C10OOH5-OO2-2 1.41E+13 0 0 C10OOH5-2C + O2 = C10OOH5-OO3-2 7.54E+12 0 0 C10OOH5-2D + O2 = C10OOH5-OO4-2 7.54E+12 0 0 C10OOH5-2F + O2 = C10OOH5-OO6-2 7.54E+12 0 0 C10OOH5-2G + O2 = C10OOH5-OO7-2 7.54E+12 0 0 C10OOH5-2H + O2 = C10OOH5-OO8-2 7.54E+12 0 0 C10OOH5-2I + O2 = C10OOH5-OO9-2 4.52E+12 0 0 C10OOH6-2B + O2 = C10OOH6-OO2-2 1.41E+13 0 0 C10OOH6-2C + O2 = C10OOH6-OO3-2 7.54E+12 0 0 C10OOH6-2D + O2 = C10OOH6-OO4-2 7.54E+12 0 0 C10OOH6-2E + O2 = C10OOH6-OO5-2 7.54E+12 0 0 C10OOH6-2G + O2 = C10OOH6-OO7-2 7.54E+12 0 0 C10OOH6-2H + O2 = C10OOH6-OO8-2 7.54E+12 0 0 C10OOH6-2I + O2 = C10OOH6-OO9-2 4.52E+12 0 0 C10OOH7-2C + O2 = C10OOH7-OO3-2 7.54E+12 0 0 C10OOH7-2D + O2 = C10OOH7-OO4-2 7.54E+12 0 0 C10OOH7-2E + O2 = C10OOH7-OO5-2 7.54E+12 0 0 C10OOH7-2F + O2 = C10OOH7-OO6-2 7.54E+12 0 0 C10OOH7-2H + O2 = C10OOH7-OO8-2 7.54E+12 0 0 C10OOH7-2I + O2 = C10OOH7-OO9-2 4.52E+12 0 0 C10OOH8-2D + O2 = C10OOH8-OO4-2 7.54E+12 0 0 C10OOH8-2E + O2 = C10OOH8-OO5-2 7.54E+12 0 0 C10OOH8-2F + O2 = C10OOH8-OO6-2 7.54E+12 0 0 C10OOH8-2G + O2 = C10OOH8-OO7-2 7.54E+12 0 0 C10OOH8-2I + O2 = C10OOH8-OO9-2 4.52E+12 0 0 C10OOH9-2E + O2 = C10OOH9-OO5-2 7.54E+12 0 0 C10OOH9-2F + O2 = C10OOH9-OO6-2 7.54E+12 0 0 C10OOH9-2G + O2 = C10OOH9-OO7-2 7.54E+12 0 0 C10OOH9-2H + O2 = C10OOH9-OO8-2 7.54E+12 0 0 ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! C11OOH1-2A + O2 = C11OOH1-OO1-2 4.52E+12 0 0 C11OOH1-2B + O2 = C11OOH1-OO2-2 1.41E+13 0 0 C11OOH1-2C + O2 = C11OOH1-OO3-2 7.54E+12 0 0 C11OOH1-2D + O2 = C11OOH1-OO4-2 7.54E+12 0 0 C11OOH1-2E + O2 = C11OOH1-OO5-2 7.54E+12 0 0 C11OOH2-2A + O2 = C11OOH2-OO1-2 4.52E+12 0 0 C11OOH2-2C + O2 = C11OOH2-OO3-2 7.54E+12 0 0 C11OOH2-2D + O2 = C11OOH2-OO4-2 7.54E+12 0 0 C11OOH2-2E + O2 = C11OOH2-OO5-2 7.54E+12 0 0 C11OOH2-2F + O2 = C11OOH2-OO6-2 7.54E+12 0 0 C11OOH3-2A + O2 = C11OOH3-OO1-2 4.52E+12 0 0 C11OOH3-2B + O2 = C11OOH3-OO2-2 1.41E+13 0 0 C11OOH3-2D + O2 = C11OOH3-OO4-2 7.54E+12 0 0 C11OOH3-2E + O2 = C11OOH3-OO5-2 7.54E+12 0 0 C11OOH3-2F + O2 = C11OOH3-OO6-2 7.54E+12 0 0 C11OOH3-2G + O2 = C11OOH3-OO7-2 7.54E+12 0 0 C11OOH4-2A + O2 = C11OOH4-OO1-2 4.52E+12 0 0 C11OOH4-2B + O2 = C11OOH4-OO2-2 1.41E+13 0 0 C11OOH4-2C + O2 = C11OOH4-OO3-2 7.54E+12 0 0 C11OOH4-2E + O2 = C11OOH4-OO5-2 7.54E+12 0 0 C11OOH4-2F + O2 = C11OOH4-OO6-2 7.54E+12 0 0 C11OOH4-2G + O2 = C11OOH4-OO7-2 7.54E+12 0 0 C11OOH4-2H + O2 = C11OOH4-OO8-2 7.54E+12 0 0 C11OOH5-2A + O2 = C11OOH5-OO1-2 4.52E+12 0 0 C11OOH5-2B + O2 = C11OOH5-OO2-2 1.41E+13 0 0 C11OOH5-2C + O2 = C11OOH5-OO3-2 7.54E+12 0 0 C11OOH5-2D + O2 = C11OOH5-OO4-2 7.54E+12 0 0 C11OOH5-2F + O2 = C11OOH5-OO6-2 7.54E+12 0 0 C11OOH5-2G + O2 = C11OOH5-OO7-2 7.54E+12 0 0 C11OOH5-2H + O2 = C11OOH5-OO8-2 7.54E+12 0 0 C11OOH5-2I + O2 = C11OOH5-OO9-2 7.54E+12 0 0 C11OOH6-2B + O2 = C11OOH6-OO2-2 1.41E+13 0 0 C11OOH6-2C + O2 = C11OOH6-OO3-2 7.54E+12 0 0 C11OOH6-2D + O2 = C11OOH6-OO4-2 7.54E+12 0 0 C11OOH6-2E + O2 = C11OOH6-OO5-2 7.54E+12 0 0 C11OOH6-2G + O2 = C11OOH6-OO7-2 7.54E+12 0 0 C11OOH6-2H + O2 = C11OOH6-OO8-2 7.54E+12 0 0 C11OOH6-2I + O2 = C11OOH6-OO9-2 7.54E+12 0 0 C11OOH6-2J + O2 = C11OOH6OO10-2 4.52E+12 0 0 C11OOH7-2C + O2 = C11OOH7-OO3-2 7.54E+12 0 0 C11OOH7-2D + O2 = C11OOH7-OO4-2 7.54E+12 0 0 C11OOH7-2E + O2 = C11OOH7-OO5-2 7.54E+12 0 0 C11OOH7-2F + O2 = C11OOH7-OO6-2 7.54E+12 0 0 C11OOH7-2H + O2 = C11OOH7-OO8-2 7.54E+12 0 0 C11OOH7-2I + O2 = C11OOH7-OO9-2 7.54E+12 0 0 C11OOH7-2J + O2 = C11OOH7OO10-2 4.52E+12 0 0 C11OOH8-2D + O2 = C11OOH8-OO4-2 7.54E+12 0 0 C11OOH8-2E + O2 = C11OOH8-OO5-2 7.54E+12 0 0 C11OOH8-2F + O2 = C11OOH8-OO6-2 7.54E+12 0 0 C11OOH8-2G + O2 = C11OOH8-OO7-2 7.54E+12 0 0 C11OOH8-2I + O2 = C11OOH8-OO9-2 7.54E+12 0 0 C11OOH8-2J + O2 = C11OOH8OO10-2 4.52E+12 0 0 C11OOH9-2E + O2 = C11OOH9-OO5-2 7.54E+12 0 0 C11OOH9-2F + O2 = C11OOH9-OO6-2 7.54E+12 0 0 C11OOH9-2G + O2 = C11OOH9-OO7-2 7.54E+12 0 0 C11OOH9-2H + O2 = C11OOH9-OO8-2 7.54E+12 0 0 C11OOH9-2J + O2 = C11OOH9OO10-2 4.52E+12 0 0 C11OOH10-2F + O2 = C11OOH10OO6-2 7.54E+12 0 0 C11OOH10-2G + O2 = C11OOH10OO7-2 7.54E+12 0 0 C11OOH10-2H + O2 = C11OOH10OO8-2 7.54E+12 0 0 C11OOH10-2I + O2 = C11OOH10OO9-2 7.54E+12 0 0 ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! ! ! ! ! ! C12OOH1-2A + O2 = C12OOH1-OO1-2 4.52E+12 0 0 C12OOH1-2B + O2 = C12OOH1-OO2-2 1.41E+13 0 0 C12OOH1-2C + O2 = C12OOH1-OO3-2 7.54E+12 0 0 C12OOH1-2D + O2 = C12OOH1-OO4-2 7.54E+12 0 0 C12OOH1-2E + O2 = C12OOH1-OO5-2 7.54E+12 0 0 C12OOH2-2A + O2 = C12OOH2-OO1-2 4.52E+12 0 0 C12OOH2-2C + O2 = C12OOH2-OO3-2 7.54E+12 0 0 C12OOH2-2D + O2 = C12OOH2-OO4-2 7.54E+12 0 0 C12OOH2-2E + O2 = C12OOH2-OO5-2 7.54E+12 0 0 C12OOH2-2F + O2 = C12OOH2-OO6-2 7.54E+12 0 0 C12OOH3-2A + O2 = C12OOH3-OO1-2 4.52E+12 0 0 C12OOH3-2B + O2 = C12OOH3-OO2-2 1.41E+13 0 0 C12OOH3-2D + O2 = C12OOH3-OO4-2 7.54E+12 0 0 C12OOH3-2E + O2 = C12OOH3-OO5-2 7.54E+12 0 0 C12OOH3-2F + O2 = C12OOH3-OO6-2 7.54E+12 0 0 C12OOH3-2G + O2 = C12OOH3-OO7-2 7.54E+12 0 0 C12OOH4-2A + O2 = C12OOH4-OO1-2 4.52E+12 0 0 C12OOH4-2B + O2 = C12OOH4-OO2-2 1.41E+13 0 0 C12OOH4-2C + O2 = C12OOH4-OO3-2 7.54E+12 0 0 C12OOH4-2E + O2 = C12OOH4-OO5-2 7.54E+12 0 0 C12OOH4-2F + O2 = C12OOH4-OO6-2 7.54E+12 0 0 C12OOH4-2G + O2 = C12OOH4-OO7-2 7.54E+12 0 0 C12OOH4-2H + O2 = C12OOH4-OO8-2 7.54E+12 0 0 C12OOH5-2A + O2 = C12OOH5-OO1-2 4.52E+12 0 0 C12OOH5-2B + O2 = C12OOH5-OO2-2 1.41E+13 0 0 C12OOH5-2C + O2 = C12OOH5-OO3-2 7.54E+12 0 0 C12OOH5-2D + O2 = C12OOH5-OO4-2 7.54E+12 0 0 C12OOH5-2F + O2 = C12OOH5-OO6-2 7.54E+12 0 0 C12OOH5-2G + O2 = C12OOH5-OO7-2 7.54E+12 0 0 C12OOH5-2H + O2 = C12OOH5-OO8-2 7.54E+12 0 0 C12OOH5-2I + O2 = C12OOH5-OO9-2 7.54E+12 0 0 C12OOH6-2B + O2 = C12OOH6-OO2-2 1.41E+13 0 0 C12OOH6-2C + O2 = C12OOH6-OO3-2 7.54E+12 0 0 C12OOH6-2D + O2 = C12OOH6-OO4-2 7.54E+12 0 0 C12OOH6-2E + O2 = C12OOH6-OO5-2 7.54E+12 0 0 C12OOH6-2G + O2 = C12OOH6-OO7-2 7.54E+12 0 0 C12OOH6-2H + O2 = C12OOH6-OO8-2 7.54E+12 0 0 C12OOH6-2I + O2 = C12OOH6-OO9-2 7.54E+12 0 0 C12OOH6-2J + O2 = C12OOH6OO10-2 7.54E+12 0 0 C12OOH7-2C + O2 = C12OOH7-OO3-2 7.54E+12 0 0 C12OOH7-2D + O2 = C12OOH7-OO4-2 7.54E+12 0 0 C12OOH7-2E + O2 = C12OOH7-OO5-2 7.54E+12 0 0 C12OOH7-2F + O2 = C12OOH7-OO6-2 7.54E+12 0 0 C12OOH7-2H + O2 = C12OOH7-OO8-2 7.54E+12 0 0 C12OOH7-2I + O2 = C12OOH7-OO9-2 7.54E+12 0 0 C12OOH7-2J + O2 = C12OOH7OO10-2 7.54E+12 0 0 C12OOH7-2K + O2 = C12OOH7OO11-2 4.52E+12 0 0 C12OOH8-2D + O2 = C12OOH8-OO4-2 7.54E+12 0 0 C12OOH8-2E + O2 = C12OOH8-OO5-2 7.54E+12 0 0 C12OOH8-2F + O2 = C12OOH8-OO6-2 7.54E+12 0 0 C12OOH8-2G + O2 = C12OOH8-OO7-2 7.54E+12 0 0 C12OOH8-2I + O2 = C12OOH8-OO9-2 7.54E+12 0 0 C12OOH8-2J + O2 = C12OOH8OO10-2 7.54E+12 0 0 C12OOH8-2K + O2 = C12OOH8OO11-2 4.52E+12 0 0 C12OOH9-2E + O2 = C12OOH9-OO5-2 7.54E+12 0 0 C12OOH9-2F + O2 = C12OOH9-OO6-2 7.54E+12 0 0 C12OOH9-2G + O2 = C12OOH9-OO7-2 7.54E+12 0 0 C12OOH9-2H + O2 = C12OOH9-OO8-2 7.54E+12 0 0 C12OOH9-2J + O2 = C12OOH9OO10-2 7.54E+12 0 0 C12OOH9-2K + O2 = C12OOH9OO11-2 4.52E+12 0 0 C12OOH10-2F + O2 = C12OOH10OO6-2 7.54E+12 0 0 C12OOH10-2G + O2 = C12OOH10OO7-2 7.54E+12 0 0 C12OOH10-2H + O2 = C12OOH10OO8-2 7.54E+12 0 0 C12OOH10-2I + O2 = C12OOH10OO9-2 7.54E+12 0 0 C12OOH10-2K + O2 = C12OOH10OO11-2 4.52E+12 0 0 C12OOH11-2G + O2 = C12OOH11OO7-2 7.54E+12 0 0 C12OOH11-2H + O2 = C12OOH11OO8-2 7.54E+12 0 0 C12OOH11-2I + O2 = C12OOH11OO9-2 7.54E+12 0 0 C12OOH11-2J + O2 = C12OOH11OO10-2 7.54E+12 0 0 ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! ! ! ! ! C7OOH1-OO1-2 = C7KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C7OOH1-OO2-2 = C7KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C7OOH1-OO3-2 = C7KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C7OOH1-OO4-2 = C7KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C7OOH1-OO5-2 = C7KET1-5-2 + OH 3.906E+08 0.00 2.215E+04 C7OOH3-OO1-2 = C7KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C7OOH3-OO2-2 = C7KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH3-OO4-2 = C7KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH3-OO5-2 = C7KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C7OOH3-OO6-2 = C7KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C7OOH4-OO1-2 = C7KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C7OOH4-OO2-2 = C7KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C7OOH4-OO3-2 = C7KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH4-OO5-2 = C7KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH4-OO6-2 = C7KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C7OOH5-OO1-2 = C7KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C7OOH5-OO2-2 = C7KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C7OOH5-OO3-2 = C7KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C7OOH5-OO4-2 = C7KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH5-OO6-2 = C7KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C7OOH6-OO2-2 = C7KET6-2-2 + OH 3.906E+08 0.00 2.215E+04 C7OOH6-OO3-2 = C7KET6-3-2 + OH 3.125E+09 0.00 1.895E+04 C7OOH6-OO4-2 = C7KET6-4-2 + OH 2.500E+10 0.00 2.100E+04 C7OOH6-OO5-2 = C7KET6-5-2 + OH 2.00E+11 0.00 2.600E+04 ! !! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! ! ! ! ! C8OOH1-OO1-2 = C8KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C8OOH1-OO2-2 = C8KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C8OOH1-OO3-2 = C8KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C8OOH1-OO4-2 = C8KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C8OOH1-OO5-2 = C8KET1-5-2 + OH 3.90E+08 0.00 2.26E+04 C8OOH3-OO1-2 = C8KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH3-OO2-2 = C8KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH3-OO4-2 = C8KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH3-OO5-2 = C8KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH3-OO6-2 = C8KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C8OOH3-OO7-2 = C8KET3-7-2 + OH 1.96E+08 0.00 1.865E+04 C8OOH4-OO1-2 = C8KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C8OOH4-OO2-2 = C8KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH4-OO3-2 = C8KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH4-OO5-2 = C8KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH4-OO6-2 = C8KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH4-OO7-2 = C8KET4-7-2 + OH 1.56E+09 0.00 1.565E+04 C8OOH5-OO1-2 = C8KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C8OOH5-OO2-2 = C8KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C8OOH5-OO3-2 = C8KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH5-OO4-2 = C8KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH5-OO6-2 = C8KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH5-OO7-2 = C8KET5-7-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH6-OO2-2 = C8KET6-2-2 + OH 1.96E+08 0.00 1.865E+04 C8OOH6-OO3-2 = C8KET6-3-2 + OH 1.56E+09 0.00 1.565E+04 C8OOH6-OO4-2 = C8KET6-4-2 + OH 1.250E+10 0.00 1.745E+04 C8OOH6-OO5-2 = C8KET6-5-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH6-OO7-2 = C8KET6-7-2 + OH 1.000E+11 0.00 2.345E+04 C8OOH7-OO3-2 = C8KET7-3-2 + OH 3.906E+08 0.00 2.215E+04 C8OOH7-OO4-2 = C8KET7-4-2 + OH 3.125E+09 0.00 1.895E+04 C8OOH7-OO5-2 = C8KET7-5-2 + OH 2.500E+10 0.00 2.100E+04 C8OOH7-OO6-2 = C8KET7-6-2 + OH 2.00E+11 0.00 2.600E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C9OOH1-OO1-2 = C9KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C9OOH1-OO2-2 = C9KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C9OOH1-OO3-2 = C9KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C9OOH1-OO4-2 = C9KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C9OOH1-OO5-2 = C9KET1-5-2 + OH 3.906E+08 0.00 2.215E+04 C9OOH3-OO1-2 = C9KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH3-OO2-2 = C9KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH3-OO4-2 = C9KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH3-OO5-2 = C9KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH3-OO6-2 = C9KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH3-OO7-2 = C9KET3-7-2 + OH 1.96E+08 0.00 1.865E+04 C9OOH4-OO1-2 = C9KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH4-OO2-2 = C9KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH4-OO3-2 = C9KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH4-OO5-2 = C9KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH4-OO6-2 = C9KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH4-OO7-2 = C9KET4-7-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH4-OO8-2 = C9KET4-8-2 + OH 1.96E+08 0.00 1.865E+04 C9OOH5-OO1-2 = C9KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C9OOH5-OO2-2 = C9KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH5-OO3-2 = C9KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH5-OO4-2 = C9KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH5-OO6-2 = C9KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH5-OO7-2 = C9KET5-7-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH5-OO8-2 = C9KET5-8-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH6-OO2-2 = C9KET6-2-2 + OH 1.96E+08 0.00 1.865E+04 C9OOH6-OO3-2 = C9KET6-3-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH6-OO4-2 = C9KET6-4-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH6-OO5-2 = C9KET6-5-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH6-OO7-2 = C9KET6-7-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH6-OO8-2 = C9KET6-8-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH7-OO3-2 = C9KET7-3-2 + OH 1.96E+08 0.00 1.865E+04 C9OOH7-OO4-2 = C9KET7-4-2 + OH 1.56E+09 0.00 1.565E+04 C9OOH7-OO5-2 = C9KET7-5-2 + OH 1.250E+10 0.00 1.745E+04 C9OOH7-OO6-2 = C9KET7-6-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH7-OO8-2 = C9KET7-8-2 + OH 1.000E+11 0.00 2.345E+04 C9OOH8-OO4-2 = C9KET8-4-2 + OH 3.906E+08 0.00 2.215E+04 C9OOH8-OO5-2 = C9KET8-5-2 + OH 3.125E+09 0.00 1.895E+04 C9OOH8-OO6-2 = C9KET8-6-2 + OH 2.500E+10 0.00 2.100E+04 C9OOH8-OO7-2 = C9KET8-7-2 + OH 2.00E+11 0.00 2.600E+04 ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! ! C10OOH1-OO1-2 = C10KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C10OOH1-OO2-2 = C10KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C10OOH1-OO3-2 = C10KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C10OOH1-OO4-2 = C10KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C10OOH1-OO5-2 = C10KET1-5-2 + OH 3.90E+08 0.00 2.26E+04 C10OOH3-OO1-2 = C10KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH3-OO2-2 = C10KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH3-OO4-2 = C10KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH3-OO5-2 = C10KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH3-OO6-2 = C10KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH3-OO7-2 = C10KET3-7-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH4-OO1-2 = C10KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH4-OO2-2 = C10KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH4-OO3-2 = C10KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH4-OO5-2 = C10KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH4-OO6-2 = C10KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH4-OO7-2 = C10KET4-7-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH4-OO8-2 = C10KET4-8-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH5-OO1-2 = C10KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH5-OO2-2 = C10KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH5-OO3-2 = C10KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH5-OO4-2 = C10KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH5-OO6-2 = C10KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH5-OO7-2 = C10KET5-7-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH5-OO8-2 = C10KET5-8-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH5-OO9-2 = C10KET5-9-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH6-OO2-2 = C10KET6-2-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH6-OO3-2 = C10KET6-3-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH6-OO4-2 = C10KET6-4-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH6-OO5-2 = C10KET6-5-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH6-OO7-2 = C10KET6-7-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH6-OO8-2 = C10KET6-8-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH6-OO9-2 = C10KET6-9-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH7-OO3-2 = C10KET7-3-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH7-OO4-2 = C10KET7-4-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH7-OO5-2 = C10KET7-5-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH7-OO6-2 = C10KET7-6-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH7-OO8-2 = C10KET7-8-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH7-OO9-2 = C10KET7-9-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH8-OO4-2 = C10KET8-4-2 + OH 1.96E+08 0.00 1.865E+04 C10OOH8-OO5-2 = C10KET8-5-2 + OH 1.56E+09 0.00 1.565E+04 C10OOH8-OO6-2 = C10KET8-6-2 + OH 1.250E+10 0.00 1.745E+04 C10OOH8-OO7-2 = C10KET8-7-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH8-OO9-2 = C10KET8-9-2 + OH 1.000E+11 0.00 2.345E+04 C10OOH9-OO5-2 = C10KET9-5-2 + OH 3.906E+08 0.00 2.215E+04 C10OOH9-OO6-2 = C10KET9-6-2 + OH 3.125E+09 0.00 1.895E+04 C10OOH9-OO7-2 = C10KET9-7-2 + OH 2.500E+10 0.00 2.100E+04 C10OOH9-OO8-2 = C10KET9-8-2 + OH 2.00E+11 0.00 2.600E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! ! ! ! C11OOH1-OO1-2 = C11KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C11OOH1-OO2-2 = C11KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C11OOH1-OO3-2 = C11KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C11OOH1-OO4-2 = C11KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C11OOH1-OO5-2 = C11KET1-5-2 + OH 3.90E+08 0.00 2.26E+04 C11OOH3-OO1-2 = C11KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH3-OO2-2 = C11KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH3-OO4-2 = C11KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH3-OO5-2 = C11KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH3-OO6-2 = C11KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH3-OO7-2 = C11KET3-7-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH4-OO1-2 = C11KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH4-OO2-2 = C11KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH4-OO3-2 = C11KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH4-OO5-2 = C11KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH4-OO6-2 = C11KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH4-OO7-2 = C11KET4-7-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH4-OO8-2 = C11KET4-8-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH5-OO1-2 = C11KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH5-OO2-2 = C11KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH5-OO3-2 = C11KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH5-OO4-2 = C11KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH5-OO6-2 = C11KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH5-OO7-2 = C11KET5-7-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH5-OO8-2 = C11KET5-8-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH5-OO9-2 = C11KET5-9-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH6-OO2-2 = C11KET6-2-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH6-OO3-2 = C11KET6-3-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH6-OO4-2 = C11KET6-4-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH6-OO5-2 = C11KET6-5-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH6-OO7-2 = C11KET6-7-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH6-OO8-2 = C11KET6-8-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH6-OO9-2 = C11KET6-9-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH6OO10-2 = C11KET6-10-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH7-OO3-2 = C11KET7-3-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH7-OO4-2 = C11KET7-4-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH7-OO5-2 = C11KET7-5-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH7-OO6-2 = C11KET7-6-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH7-OO8-2 = C11KET7-8-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH7-OO9-2 = C11KET7-9-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH7OO10-2 = C11KET7-10-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH8-OO4-2 = C11KET8-4-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH8-OO5-2 = C11KET8-5-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH8-OO6-2 = C11KET8-6-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH8-OO7-2 = C11KET8-7-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH8-OO9-2 = C11KET8-9-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH8OO10-2 = C11KET8-10-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH9-OO5-2 = C11KET9-5-2 + OH 1.96E+08 0.00 1.865E+04 C11OOH9-OO6-2 = C11KET9-6-2 + OH 1.56E+09 0.00 1.565E+04 C11OOH9-OO7-2 = C11KET9-7-2 + OH 1.250E+10 0.00 1.745E+04 C11OOH9-OO8-2 = C11KET9-8-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH9OO10-2 = C11KET9-10-2 + OH 1.000E+11 0.00 2.345E+04 C11OOH10OO6-2 = C11KET10-6-2 + OH 3.906E+08 0.00 2.215E+04 C11OOH10OO7-2 = C11KET10-7-2 + OH 3.125E+09 0.00 1.895E+04 C11OOH10OO8-2 = C11KET10-8-2 + OH 2.500E+10 0.00 2.100E+04 C11OOH10OO9-2 = C11KET10-9-2 + OH 2.00E+11 0.00 2.600E+04 ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM KETOHYDROPEROXIDE S(KET) PLUS OH ! .OOQOOH = KETOHYDROPEROXIDE + OH ! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP) ! C12OOH1-OO1-2 = C12KET1-1-2 + OH 2.50E+10 0.00 2.100E+04 C12OOH1-OO2-2 = C12KET1-2-2 + OH 2.00E+11 0.00 2.600E+04 C12OOH1-OO3-2 = C12KET1-3-2 + OH 2.50E+10 0.00 2.100E+04 C12OOH1-OO4-2 = C12KET1-4-2 + OH 3.125E+09 0.00 1.895E+04 C12OOH1-OO5-2 = C12KET1-5-2 + OH 3.906E+08 0.00 2.215E+04 C12OOH3-OO1-2 = C12KET3-1-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH3-OO2-2 = C12KET3-2-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH3-OO4-2 = C12KET3-4-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH3-OO5-2 = C12KET3-5-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH3-OO6-2 = C12KET3-6-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH3-OO7-2 = C12KET3-7-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH4-OO1-2 = C12KET4-1-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH4-OO2-2 = C12KET4-2-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH4-OO3-2 = C12KET4-3-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH4-OO5-2 = C12KET4-5-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH4-OO6-2 = C12KET4-6-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH4-OO7-2 = C12KET4-7-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH4-OO8-2 = C12KET4-8-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH5-OO1-2 = C12KET5-1-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH5-OO2-2 = C12KET5-2-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH5-OO3-2 = C12KET5-3-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH5-OO4-2 = C12KET5-4-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH5-OO6-2 = C12KET5-6-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH5-OO7-2 = C12KET5-7-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH5-OO8-2 = C12KET5-8-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH5-OO9-2 = C12KET5-9-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH6-OO2-2 = C12KET6-2-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH6-OO3-2 = C12KET6-3-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH6-OO4-2 = C12KET6-4-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH6-OO5-2 = C12KET6-5-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH6-OO7-2 = C12KET6-7-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH6-OO8-2 = C12KET6-8-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH6-OO9-2 = C12KET6-9-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH6OO10-2 = C12KET6-10-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH7-OO3-2 = C12KET7-3-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH7-OO4-2 = C12KET7-4-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH7-OO5-2 = C12KET7-5-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH7-OO6-2 = C12KET7-6-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH7-OO8-2 = C12KET7-8-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH7-OO9-2 = C12KET7-9-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH7OO10-2 = C12KET7-10-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH7OO11-2 = C12KET7-11-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH8-OO4-2 = C12KET8-4-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH8-OO5-2 = C12KET8-5-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH8-OO6-2 = C12KET8-6-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH8-OO7-2 = C12KET8-7-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH8-OO9-2 = C12KET8-9-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH8OO10-2 = C12KET8-10-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH8OO11-2 = C12KET8-11-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH9-OO5-2 = C12KET9-5-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH9-OO6-2 = C12KET9-6-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH9-OO7-2 = C12KET9-7-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH9-OO8-2 = C12KET9-8-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH9OO10-2 = C12KET9-10-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH9OO11-2 = C12KET9-11-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH10OO6-2 = C12KET10-6-2 + OH 1.96E+08 0.00 1.865E+04 C12OOH10OO7-2 = C12KET10-7-2 + OH 1.56E+09 0.00 1.565E+04 C12OOH10OO8-2 = C12KET10-8-2 + OH 1.250E+10 0.00 1.745E+04 C12OOH10OO9-2 = C12KET10-9-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH10OO11-2 = C12KET10-11-2 + OH 1.000E+11 0.00 2.345E+04 C12OOH11OO7-2 = C12KET11-7-2 + OH 3.906E+08 0.00 2.215E+04 C12OOH11OO8-2 = C12KET11-8-2 + OH 3.125E+09 0.00 1.895E+04 C12OOH11OO9-2 = C12KET11-9-2 + OH 2.500E+10 0.00 2.100E+04 C12OOH11OO10-2 = C12KET11-10-2 + OH 2.00E+11 0.00 2.600E+04 ! ! ! ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! C7KET1-1-2 = CH2O + C2H3CHO + OH + NC3H7 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET1-2-2 = CH3CO + HCO + OH + PC4H9 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET1-3-2 = CH3CHCHO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET1-4-2 = IC3H6CHO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET1-5-2 = C4H8CHO4-2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET3-1-2 = CH2O + NC3H7COC2H4S + OH 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET3-2-2 = CH3COCH3 + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET3-4-2 = C2H5CHO + OH + IC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET3-5-2 = IC3H7COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET3-6-2 = IC3H7COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET4-1-2 = CH2O + OH + C3H6 + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET4-2-2 = CH3COCH3 + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET4-3-2 = IC3H7CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET4-5-2 = IC4H9CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET4-6-2 = IC4H9COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET5-1-2 = CH2O + OH + C3H6 + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET5-2-2 = CH3COCH3 + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET5-3-2 = IC3H7CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET5-4-2 = IC4H9CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET5-6-2 = IC5H11CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET6-2-2 = CH3COCH3 + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET6-3-2 = IC3H7CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET6-4-2 = IC4H9CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C7KET6-5-2 = IC5H11CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! C8KET1-1-2 = CH2O + C2H3CHO + OH + PC4H9 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET1-2-2 = CH3CO + HCO + OH + C5H11-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET1-3-2 = CH3CHCHO + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET1-4-2 = IC3H6CHO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET1-5-2 = C4H8CHO4-2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-1-2 = CH2O + OH + NC4H9COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-2-2 = CH3COCH3 + OH + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-4-2 = C2H5CHO + OH + IC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-5-2 = IC3H7COCH2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-6-2 = IC3H7COC2H4P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET3-7-2 = IC3H7COC3H6P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET4-1-2 = CH2O + OH + C3H6 + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET4-2-2 = CH3COCH3 + OH + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 47410 / C8KET4-3-2 = IC3H7CHO + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET4-5-2 = IC4H9CO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET4-6-2 = IC4H9COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET4-7-2 = IC4H9COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-1-2 = CH2O + OH + C3H6 + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-2-2 = CH3COCH3 + OH + C2H5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-3-2 = IC3H7CHO + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-4-2 = IC4H9CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-6-2 = IC5H11CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET5-7-2 = IC5H11COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET6-2-2 = CH3COCH3 + OH + C3H6COCH3-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET6-3-2 = IC3H7CHO + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET6-4-2 = IC4H9CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET6-5-2 = IC5H11CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET6-7-2 = IC6H13CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET7-3-2 = IC3H7CHO + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET7-4-2 = IC4H9CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET7-5-2 = IC5H11CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C8KET7-6-2 = IC6H13CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! ! ! 2-METHYOCTANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! C9KET1-1-2 = CH2O + C2H3CHO + OH + C5H11-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET1-2-2 = CH3CO + HCO + OH + C6H13-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET1-3-2 = CH3CHCHO + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET1-4-2 = IC3H6CHO + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET1-5-2 = C4H8CHO4-2 + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-1-2 = CH2O + OH + NC5H11COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-2-2 = CH3COCH3 + OH + NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-4-2 = C2H5CHO + OH + IC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-5-2 = IC3H7COCH2 + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-6-2 = IC3H7COC2H4P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET3-7-2 = IC3H7COC3H6P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-1-2 = CH2O + OH + C3H6 + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-2-2 = CH3COCH3 + OH + NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-3-2 = IC3H7CHO + OH + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-5-2 = IC4H9CO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-6-2 = IC4H9COCH2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-7-2 = IC4H9COC2H4P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET4-8-2 = IC4H9COC3H6P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-1-2 = CH2O + OH + C3H6 + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-2-2 = CH3COCH3 + OH + NC3H7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-3-2 = IC3H7CHO + OH + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-4-2 = IC4H9CHO + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-6-2 = IC5H11CO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-7-2 = IC5H11COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET5-8-2 = IC5H11COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-2-2 = CH3COCH3 + OH + C3H6COC2H5-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-3-2 = IC3H7CHO + OH + C2H5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-4-2 = IC4H9CHO + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-5-2 = IC5H11CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-7-2 = IC6H13CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET6-8-2 = IC6H13COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET7-3-2 = IC3H7CHO + OH + C3H6COCH3-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET7-4-2 = IC4H9CHO + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET7-5-2 = IC5H11CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET7-6-2 = IC6H13CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET7-8-2 = IC7H15CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET8-4-2 = IC4H9CHO + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET8-5-2 = IC5H11CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET8-6-2 = IC6H13CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C9KET8-7-2 = IC7H15CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! ! ! ! ! 2-METHYLNONANE ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! ! ! C10KET1-1-2 = CH2O + C2H3CHO + OH + C6H13-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET1-2-2 = CH3CO + HCO + OH + C7H15-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET1-3-2 = CH3CHCHO + OH + NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET1-4-2 = IC3H6CHO + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET1-5-2 = C4H8CHO4-2 + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-1-2 = CH2O + OH + NC6H13COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-2-2 = CH3COCH3 + OH + NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-4-2 = C2H5CHO + OH + IC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-5-2 = IC3H7COCH2 + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-6-2 = IC3H7COC2H4P + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET3-7-2 = IC3H7COC3H6P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-1-2 = CH2O + OH + C3H6 + NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-2-2 = CH3COCH3 + OH + NC5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-3-2 = IC3H7CHO + OH + NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-5-2 = IC4H9CO + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-6-2 = IC4H9COCH2 + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-7-2 = IC4H9COC2H4P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET4-8-2 = IC4H9COC3H6P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-1-2 = CH2O + OH + C3H6 + NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-2-2 = CH3COCH3 + OH + NC4H9COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-3-2 = IC3H7CHO + OH + NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-4-2 = IC4H9CHO + OH + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-6-2 = IC5H11CO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-7-2 = IC5H11COCH2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-8-2 = IC5H11COC2H4P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET5-9-2 = IC5H11COC3H6P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-2-2 = CH3COCH3 + OH + NC3H7COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-3-2 = IC3H7CHO + OH + NC3H7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-4-2 = IC4H9CHO + OH + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-5-2 = IC5H11CHO + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-7-2 = IC6H13CO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-8-2 = IC6H13COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET6-9-2 = IC6H13COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-3-2 = IC3H7CHO + OH + C3H6COC2H5-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-4-2 = IC4H9CHO + OH + C2H5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-5-2 = IC5H11CHO + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-6-2 = IC6H13CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-8-2 = IC7H15CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET7-9-2 = IC7H15COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET8-4-2 = IC4H9CHO + OH + C3H6COCH3-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET8-5-2 = IC5H11CHO + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET8-6-2 = IC6H13CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET8-7-2 = IC7H15CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET8-9-2 = IC8H17CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET9-5-2 = IC5H11CHO + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET9-6-2 = IC6H13CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET9-7-2 = IC7H15CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C10KET9-8-2 = IC8H17CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLDECANE ! ! ! ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! ! ! ! C11KET1-1-2 = CH2O + C2H3CHO + OH + C7H15-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET1-2-2 = CH3CO + HCO + OH + C8H17-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET1-3-2 = CH3CHCHO + OH + NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET1-4-2 = IC3H6CHO + OH + NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET1-5-2 = C4H8CHO4-2 + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-1-2 = CH2O + OH + NC7H15COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-2-2 = CH3COCH3 + OH + NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-4-2 = C2H5CHO + OH + IC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-5-2 = IC3H7COCH2 + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-6-2 = IC3H7COC2H4P + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET3-7-2 = IC3H7COC3H6P + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-1-2 = CH2O + OH + C3H6 + NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-2-2 = CH3COCH3 + OH + NC6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-3-2 = IC3H7CHO + OH + NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-5-2 = IC4H9CO + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-6-2 = IC4H9COCH2 + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-7-2 = IC4H9COC2H4P + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET4-8-2 = IC4H9COC3H6P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-1-2 = CH2O + OH + C3H6 + NC5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-2-2 = CH3COCH3 + OH + NC5H11COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-3-2 = IC3H7CHO + OH + NC5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-4-2 = IC4H9CHO + OH + NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-6-2 = IC5H11CO + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-7-2 = IC5H11COCH2 + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-8-2 = IC5H11COC2H4P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET5-9-2 = IC5H11COC3H6P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-2-2 = CH3COCH3 + OH + NC4H9COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-3-2 = IC3H7CHO + OH + NC4H9COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-4-2 = IC4H9CHO + OH + NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-5-2 = IC5H11CHO + OH + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-7-2 = IC6H13CO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-8-2 = IC6H13COCH2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-9-2 = IC6H13COC2H4P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET6-10-2 = IC6H13COC3H6P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-3-2 = IC3H7CHO + OH + NC3H7COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-4-2 = IC4H9CHO + OH + NC3H7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-5-2 = IC5H11CHO + OH + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-6-2 = IC6H13CHO + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-8-2 = IC7H15CO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-9-2 = IC7H15COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET7-10-2 = IC7H15COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-4-2 = IC4H9CHO + OH + C3H6COC2H5-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-5-2 = IC5H11CHO + OH + C2H5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-6-2 = IC6H13CHO + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-7-2 = IC7H15CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-9-2 = IC8H17CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET8-10-2 = IC8H17COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET9-5-2 = IC5H11CHO + OH + C3H6COCH3-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET9-6-2 = IC6H13CHO + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET9-7-2 = IC7H15CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET9-8-2 = IC8H17CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET9-10-2 = IC9H19CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET10-6-2 = IC6H13CHO + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET10-7-2 = IC7H15CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET10-8-2 = IC8H17CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C11KET10-9-2 = IC9H19CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! ! ! ! ! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION ! ! ! ! ! ! ! ! ! ! C12KET1-1-2 = CH2O + C2H3CHO + OH + C8H17-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET1-2-2 = CH3CO + HCO + OH + C9H19-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET1-3-2 = CH3CHCHO + OH + NC8H17CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET1-4-2 = IC3H6CHO + OH + NC7H15CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET1-5-2 = C4H8CHO4-2 + OH + NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-1-2 = CH2O + OH + NC8H17COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-2-2 = CH3COCH3 + OH + NC8H17CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-4-2 = C2H5CHO + OH + IC8H17CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-5-2 = IC3H7COCH2 + OH + NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-6-2 = IC3H7COC2H4P + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET3-7-2 = IC3H7COC3H6P + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-1-2 = CH2O + OH + C3H6 + NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-2-2 = CH3COCH3 + OH + NC7H15COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-3-2 = IC3H7CHO + OH + NC7H15CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-5-2 = IC4H9CO + OH + NC6H13CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-6-2 = IC4H9COCH2 + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-7-2 = IC4H9COC2H4P + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET4-8-2 = IC4H9COC3H6P + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-1-2 = CH2O + OH + C3H6 + NC6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-2-2 = CH3COCH3 + OH + NC6H13COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-3-2 = IC3H7CHO + OH + NC6H13COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-4-2 = IC4H9CHO + OH + NC6H13CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-6-2 = IC5H11CO + OH + NC5H11CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-7-2 = IC5H11COCH2 + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-8-2 = IC5H11COC2H4P + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET5-9-2 = IC5H11COC3H6P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-2-2 = CH3COCH3 + OH + NC5H11COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-3-2 = IC3H7CHO + OH + NC5H11COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-4-2 = IC4H9CHO + OH + NC5H11COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-5-2 = IC5H11CHO + OH + NC5H11CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-7-2 = IC6H13CO + OH + NC4H9CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-8-2 = IC6H13COCH2 + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-9-2 = IC6H13COC2H4P + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET6-10-2 = IC6H13COC3H6P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-3-2 = IC3H7CHO + OH + NC4H9COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-4-2 = IC4H9CHO + OH + NC4H9COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-5-2 = IC5H11CHO + OH + NC4H9COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-6-2 = IC6H13CHO + OH + NC4H9CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-8-2 = IC7H15CO + OH + NC3H7CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-9-2 = IC7H15COCH2 + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-10-2 = IC7H15COC2H4P + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET7-11-2 = IC7H15COC3H6P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-4-2 = IC4H9CHO + OH + NC3H7COC3H6P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-5-2 = IC5H11CHO + OH + NC3H7COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-6-2 = IC6H13CHO + OH + NC3H7COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-7-2 = IC7H15CHO + OH + NC3H7CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-9-2 = IC8H17CO + OH + C2H5CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-10-2 = IC8H17COCH2 + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET8-11-2 = IC8H17COC2H4P + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-5-2 = IC5H11CHO + OH + C3H6COC2H5-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-6-2 = IC6H13CHO + OH + C2H5COC2H4P 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-7-2 = IC7H15CHO + OH + C2H5COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-8-2 = IC8H17CHO + OH + C2H5CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-10-2 = IC9H19CO + OH + CH3CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET9-11-2 = IC9H19COCH2 + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET10-6-2 = IC6H13CHO + OH + C3H6COCH3-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET10-7-2 = IC7H15CHO + OH + CH2CH2COCH3 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET10-8-2 = IC8H17CHO + OH + CH3COCH2 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET10-9-2 = IC9H19CHO + OH + CH3CO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET10-11-2 = IC10H21CO + OH + CH2O 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET11-7-2 = IC7H15CHO + OH + C3H6CHO-1 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET11-8-2 = IC8H17CHO + OH + CH2CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET11-9-2 = IC9H19CHO + OH + CH2CHO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / C12KET11-10-2 = IC10H21CHO + OH + HCO 1.000E+16 0.00 3.900E+04 REV / 0.00 0 0 / ! ! ! ! ! ! ! ! ! 2-METHYLDODECANE ! ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C7H14O1-1-2 + OH = C6H12-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-1-2 + OH = C6H111-6 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-2-2 + OH = C6H111-6 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-2-2 + OH = NC3H7 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-3-2 + OH = C6H12-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-3-2 + OH = NC3H7CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-4-2 + OH = C4H8-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-4-2 + OH = C2H5COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-5-2 + OH = C3H6 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O1-5-2 + OH = CH2CH2COCH3 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C7H14O2-3-2 + OH = NC3H7CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-3-2 + OH = NC3H7 + IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-4-2 + OH = C2H5CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-4-2 + OH = C2H5CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-5-2 + OH = CH3CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-5-2 + OH = CH3COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-6-2 + OH = CH2O + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O2-6-2 + OH = CH2CH2CHO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C7H14O3-4-2 + OH = CH3 + IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O3-4-2 + OH = C2H5 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O3-5-2 + OH = C3H6 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O3-5-2 + OH = CH3CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O3-6-2 + OH = C2H4 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O3-6-2 + OH = CH2CHO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C7H14O4-5-2 + OH = CH3CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O4-5-2 + OH = C2H3COCH3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O4-6-2 + OH = C2H4 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O4-6-2 + OH = HCO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C7H14O5-6-2 + OH = CH2CO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C7H14O5-6-2 + OH = C2H3CHO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! ! 2-METHYLHEPTANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C8H16O1-1-2 + OH = C7H14-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O1-1-2 + OH = C7H131-7 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-2-2 + OH = C7H131-7 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-2-2 + OH = PC4H9 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-3-2 + OH = C7H14-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-3-2 + OH = NC4H9CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-4-2 + OH = C5H10-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-4-2 + OH = NC3H7COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0.00E+00 / C8H16O1-5-2 + OH = C4H8-1 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O1-5-2 + OH = C2H5COC2H4P + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C8H16O2-3-2 + OH = NC4H9CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-3-2 + OH = PC4H9+ IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-4-2 + OH = NC3H7CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-4-2 + OH = NC3H7CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-5-2 + OH = C2H5CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-5-2 + OH = C2H5COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-6-2 + OH = CH3CHO + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O2-6-2 + OH = CH2CH2COCH3 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C8H16O3-4-2 + OH = C2H5 + IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-4-2 + OH = NC3H7 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-5-2 + OH = C4H8-1 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-5-2 + OH = C2H5CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-6-2 + OH = C3H6 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-6-2 + OH = CH3COCH2 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-7-2 + OH = C2H4 + IC3H7COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O3-7-2 + OH = CH2CH2CHO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C8H16O4-5-2 + OH = C2H5CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O4-5-2 + OH = C2H5COC2H3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O4-6-2 + OH = C3H6 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O4-6-2 + OH = CH3CO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O4-7-2 + OH = CH2CHO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O4-7-2 + OH = C2H4 + IC4H9COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C8H16O5-6-2 + OH = CH3CHCO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O5-6-2 + OH = C2H3COCH3 + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O5-7-2 + OH = HCO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O5-7-2 + OH = C2H4 + IC5H11CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C8H16O6-7-2 + OH = C2H3CHO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C8H16O6-7-2 + OH = CH2CO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! ! C9H18O1-1-2 + OH = C8H16-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-1-2 + OH = C8H15 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-2-2 + OH = C8H15 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-2-2 + OH = C5H11-1 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-3-2 + OH = C8H16-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-3-2 + OH = NC5H11CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-4-2 + OH = C6H12-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-4-2 + OH = NC4H9COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-5-2 + OH = C5H10-1 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O1-5-2 + OH = NC3H7COC2H4P + C3H6 + H2O 2.50E+16 0 0 REV / 0.00E+00 0 0 / ! C9H18O2-3-2 + OH = NC5H11CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-3-2 + OH = C5H11-1 + IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-4-2 + OH = NC4H9CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-4-2 + OH = NC4H9CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-5-2 + OH = NC3H7CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-5-2 + OH = NC3H7COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-6-2 + OH = C2H5CHO + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O2-6-2 + OH = C2H5COC2H4P + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C9H18O3-4-2 + OH = NC3H7 + IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-4-2 + OH = PC4H9 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-5-2 + OH = C5H10-1 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-5-2 + OH = NC3H7CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-6-2 + OH = C4H8-1 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-6-2 + OH = C2H5COCH2 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-7-2 + OH = C3H6 + IC3H7COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O3-7-2 + OH = CH2CH2COCH3 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C9H18O4-5-2 + OH = NC3H7CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-5-2 + OH = NC3H7COC2H3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-6-2 + OH = C4H8-1 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-6-2 + OH = C2H5CO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-7-2 + OH = CH3COCH2 + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-7-2 + OH = C3H6 + IC4H9COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-8-2 + OH = C2H4 + IC4H9COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O4-8-2 + OH = CH2CH2CHO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C9H18O5-6-2 + OH = C2H5CHCO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O5-6-2 + OH = C2H5COC2H3 + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O5-7-2 + OH = CH3CO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O5-7-2 + OH = C3H6 + IC5H11CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O5-8-2 + OH = CH2CHO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O5-8-2 + OH = C2H4 + IC5H11COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C9H18O6-7-2 + OH = C2H3COCH3 + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O6-7-2 + OH = CH3CHCO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O6-8-2 + OH = HCO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O6-8-2 + OH = C2H4 + IC6H13CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C9H18O7-8-2 + OH = C2H3CHO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C9H18O7-8-2 + OH = CH2CO + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! ! ! 2-METHYLNONANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C10H20O1-1-2 + OH = C9H18-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-1-2 + OH = C9H17 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-2-2 + OH = C9H17 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-2-2 + OH = C6H13-1 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-3-2 + OH = C9H18-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-3-2 + OH = NC6H13CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-4-2 + OH = C7H14-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-4-2 + OH = NC5H11COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-5-2 + OH = C6H12-1 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O1-5-2 + OH = NC4H9COC2H4P + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O2-3-2 + OH = NC6H13CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-3-2 + OH = C6H13-1 + IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-4-2 + OH = NC5H11CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-4-2 + OH = NC5H11CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-5-2 + OH = NC4H9CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-5-2 + OH = NC4H9COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-6-2 + OH = NC3H7CHO + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O2-6-2 + OH = NC3H7COC2H4P + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O3-4-2 + OH = PC4H9+ IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-4-2 + OH = C5H11-1 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-5-2 + OH = C6H12-1 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-5-2 + OH = NC4H9CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-6-2 + OH = C5H10-1 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-6-2 + OH = NC3H7COCH2 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-7-2 + OH = C4H8-1 + IC3H7COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O3-7-2 + OH = C2H5COC2H4P + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O4-5-2 + OH = NC4H9CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-5-2 + OH = NC4H9COC2H3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-6-2 + OH = C5H10-1 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-6-2 + OH = NC3H7CO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-7-2 + OH = C2H5COCH2 + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-7-2 + OH = C4H8-1 + IC4H9COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-8-2 + OH = C3H6 + IC4H9COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O4-8-2 + OH = CH2CH2COCH3 + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O5-6-2 + OH = NC3H7CHCO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-6-2 + OH = NC3H7COC2H3 + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-7-2 + OH = C2H5CO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-7-2 + OH = C4H8-1 + IC5H11CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-8-2 + OH = CH3COCH2 + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-8-2 + OH = C3H6 + IC5H11COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-9-2 + OH = C2H4 + IC5H11COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O5-9-2 + OH = CH2CH2CHO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O6-7-2 + OH = C2H5COC2H3 + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O6-7-2 + OH = C2H5CHCO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O6-8-2 + OH = CH3CO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O6-8-2 + OH = C3H6 + IC6H13CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O6-9-2 + OH = CH2CHO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O6-9-2 + OH = C2H4 + IC6H13COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O7-8-2 + OH = C2H3COCH3 + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O7-8-2 + OH = CH3CHCO + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O7-9-2 + OH = HCO + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O7-9-2 + OH = C2H4 + IC7H15CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C10H20O8-9-2 + OH = C2H3CHO + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C10H20O8-9-2 + OH = CH2CO + C8H17-2G + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! 2-METHYLDECANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C11H22O1-1-2 + OH = C10H20-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-1-2 + OH = C10H19 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-2-2 + OH = C10H19 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-2-2 + OH = C7H15-1 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-3-2 + OH = C10H20-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-3-2 + OH = NC7H15CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-4-2 + OH = C8H16-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-4-2 + OH = NC6H13COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-5-2 + OH = C7H14-1 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O1-5-2 + OH = NC5H11COC2H4P + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O2-3-2 + OH = NC7H15CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-3-2 + OH = C7H15-1 + IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-4-2 + OH = NC6H13CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-4-2 + OH = NC6H13CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-5-2 + OH = NC5H11CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-5-2 + OH = NC5H11COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-6-2 + OH = NC4H9CHO + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O2-6-2 + OH = NC4H9COC2H4P + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O3-4-2 + OH = C5H11-1 + IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-4-2 + OH = C6H13-1 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-5-2 + OH = C7H14-1 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-5-2 + OH = NC5H11CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-6-2 + OH = C6H12-1 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-6-2 + OH = NC4H9COCH2 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-7-2 + OH = C5H10-1 + IC3H7COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O3-7-2 + OH = NC3H7COC2H4P + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O4-5-2 + OH = NC5H11CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-5-2 + OH = NC5H11COC2H3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-6-2 + OH = C6H12-1 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-6-2 + OH = NC4H9CO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-7-2 + OH = NC3H7COCH2 + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-7-2 + OH = C5H10-1 + IC4H9COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-8-2 + OH = C4H8-1 + IC4H9COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O4-8-2 + OH = C2H5COC2H4P + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O5-6-2 + OH = NC4H9CHCO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-6-2 + OH = NC4H9COC2H3 + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-7-2 + OH = NC3H7CO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-7-2 + OH = C5H10-1 + IC5H11CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-8-2 + OH = C2H5COCH2 + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-8-2 + OH = C4H8-1 + IC5H11COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-9-2 + OH = C3H6 + IC5H11COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O5-9-2 + OH = CH2CH2COCH3 + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O6-7-2 + OH = NC3H7COC2H3 + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-7-2 + OH = NC3H7CHCO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-8-2 + OH = C2H5CO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-8-2 + OH = C4H8-1 + IC6H13CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-9-2 + OH = CH3COCH2 + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-9-2 + OH = C3H6 + IC6H13COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-10-2 + OH = C2H4 + IC6H13COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O6-10-2 + OH = CH2CH2CHO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O7-8-2 + OH = C2H5COC2H3 + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O7-8-2 + OH = C2H5CHCO + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O7-9-2 + OH = CH3CO + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O7-9-2 + OH = C3H6 + IC7H15CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O7-10-2 + OH = CH2CHO + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O7-10-2 + OH = C2H4 + IC7H15COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O8-9-2 + OH = C2H3COCH3 + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O8-9-2 + OH = CH3CHCO + C8H17-2G + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O8-10-2 + OH = HCO + C10H20-8-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O8-10-2 + OH = C2H4 + IC8H17CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C11H22O9-10-2 + OH = C2H3CHO + C8H17-2G + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C11H22O9-10-2 + OH = CH2CO + C9H19-2H + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C12H24O1-1-2 + OH = C11H22-1 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-1-2 + OH = C11H21 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-2-2 + OH = C11H21 + CH2O + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-2-2 + OH = C8H17-1 + IC3H5CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-3-2 + OH = C11H22-2 + HCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-3-2 + OH = NC8H17CO + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-4-2 + OH = C9H18-1 + CH3CHCHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-4-2 + OH = NC7H15COCH2 + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-5-2 + OH = C8H16-1 + IC3H6CHO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O1-5-2 + OH = NC6H13COC2H4P + C3H6 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O2-3-2 + OH = NC8H17CHO + C3H5-T + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-3-2 + OH = C8H17-1 + IC3H6CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-4-2 + OH = NC7H15CHO + IC4H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-4-2 + OH = NC7H15CO + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-5-2 + OH = NC6H13CHO + IC5H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-5-2 + OH = NC6H13COCH2 + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-6-2 + OH = NC5H11CHO + IC6H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O2-6-2 + OH = NC5H11COC2H4P + IC4H8 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O3-4-2 + OH = C6H13-1 + IC3H7COC2H3 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-4-2 + OH = C7H15-1 + IC3H7CHCO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-5-2 + OH = C8H16-1 + IC3H7CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-5-2 + OH = NC6H13CO + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-6-2 + OH = C7H14-1 + IC3H7COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-6-2 + OH = NC5H11COCH2 + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-7-2 + OH = C6H12-1 + IC3H7COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O3-7-2 + OH = NC4H9COC2H4P + CC5H10 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O4-5-2 + OH = NC6H13CHCO + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-5-2 + OH = NC6H13COC2H3 + IC3H7 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-6-2 + OH = C7H14-1 + IC4H9CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-6-2 + OH = NC5H11CO + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-7-2 + OH = NC4H9COCH2 + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-7-2 + OH = C6H12-1 + IC4H9COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-8-2 + OH = C5H10-1 + IC4H9COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O4-8-2 + OH = NC3H7COC2H4P + DC6H12 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O5-6-2 + OH = NC5H11CHCO + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-6-2 + OH = NC5H11COC2H3 + IC4H9 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-7-2 + OH = NC4H9CO + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-7-2 + OH = C6H12-1 + IC5H11CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-8-2 + OH = NC3H7COCH2 + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-8-2 + OH = C5H10-1 + IC5H11COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-9-2 + OH = C4H8-1 + IC5H11COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O5-9-2 + OH = C2H5COC2H4P + C7H14-5-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O6-7-2 + OH = NC4H9COC2H3 + DC5H11 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-7-2 + OH = NC4H9CHCO + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-8-2 + OH = NC3H7CO + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-8-2 + OH = C5H10-1 + IC6H13CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-9-2 + OH = C2H5COCH2 + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-9-2 + OH = C4H8-1 + IC6H13COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-10-2 + OH = C3H6 + IC6H13COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O6-10-2 + OH = CH2CH2COCH3 + C8H16-6-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O7-8-2 + OH = NC3H7COC2H3 + EC6H13 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-8-2 + OH = NC3H7CHCO + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-9-2 + OH = C2H5CO + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-9-2 + OH = C4H8-1 + IC7H15CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-10-2 + OH = CH3COCH2 + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-10-2 + OH = C3H6 + IC7H15COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-11-2 + OH = C2H4 + IC7H15COC2H4P + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O7-11-2 + OH = CH2CH2CHO + C9H18-7-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O8-9-2 + OH = C2H5COC2H3 + C7H15-2F + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O8-9-2 + OH = C2H5CHCO + C8H17-2G + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O8-10-2 + OH = CH3CO + C10H20-8-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O8-10-2 + OH = C3H6 + IC8H17CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O8-11-2 + OH = CH2CHO + C10H20-8-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O8-11-2 + OH = C2H4 + IC8H17COCH2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O9-10-2 + OH = C2H3COCH3 + C8H17-2G + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O9-10-2 + OH = CH3CHCO + C9H19-2H + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O9-11-2 + OH = HCO + C11H22-9-2 + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O9-11-2 + OH = C2H4 + IC9H19CO + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! C12H24O10-11-2 + OH = C2H3CHO + C9H19-2H + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / C12H24O10-11-2 + OH = CH2CO + C10H21-2I + H2O 2.50E+12 0 0 REV / 0.00E+00 0 0 / ! ! ! ! ! ! 2-METHYLHEXANE ! ! ! ! ! ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C7H14O1-1-2 + HO2 = C6H12-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-1-2 + HO2 = C6H111-6 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-2-2 + HO2 = C6H111-6 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-2-2 + HO2 = NC3H7 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-3-2 + HO2 = C6H12-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-3-2 + HO2 = NC3H7CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-4-2 + HO2 = C4H8-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-4-2 + HO2 = C2H5COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-5-2 + HO2 = C3H6 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O1-5-2 + HO2 = CH2CH2COCH3 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C7H14O2-3-2 + HO2 = NC3H7CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-3-2 + HO2 = NC3H7 + IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-4-2 + HO2 = C2H5CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-4-2 + HO2 = C2H5CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-5-2 + HO2 = CH3CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-5-2 + HO2 = CH3COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-6-2 + HO2 = CH2O + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O2-6-2 + HO2 = CH2CH2CHO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C7H14O3-4-2 + HO2 = CH3 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O3-4-2 + HO2 = C2H5 + IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O3-5-2 + HO2 = C3H6 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O3-5-2 + HO2 = CH3CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O3-6-2 + HO2 = C2H4 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O3-6-2 + HO2 = CH2CHO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C7H14O4-5-2 + HO2 = CH3CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O4-5-2 + HO2 = C2H3COCH3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O4-6-2 + HO2 = C2H4 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O4-6-2 + HO2 = HCO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C7H14O5-6-2 + HO2 = CH2CO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C7H14O5-6-2 + HO2 = C2H3CHO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! 2-METHYLHEPTANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C8H16O1-1-2 + HO2 = C7H14-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O1-1-2 + HO2 = C7H131-7 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-2-2 + HO2 = C7H131-7 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-2-2 + HO2 = PC4H9 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-3-2 + HO2 = C7H14-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-3-2 + HO2 = NC4H9CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-4-2 + HO2 = C5H10-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-4-2 + HO2 = NC3H7COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0.00E+00 / C8H16O1-5-2 + HO2 = C4H8-1 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O1-5-2 + HO2 = C2H5COC2H4P + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C8H16O2-3-2 + HO2 = NC4H9CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-3-2 + HO2 = PC4H9+ IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-4-2 + HO2 = NC3H7CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-4-2 + HO2 = NC3H7CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-5-2 + HO2 = C2H5CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-5-2 + HO2 = C2H5COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-6-2 + HO2 = CH3CHO + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O2-6-2 + HO2 = CH2CH2COCH3 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C8H16O3-4-2 + HO2 = C2H5 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-4-2 + HO2 = NC3H7 + IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-5-2 + HO2 = C4H8-1 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-5-2 + HO2 = C2H5CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-6-2 + HO2 = C3H6 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-6-2 + HO2 = CH3COCH2 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-7-2 + HO2 = C2H4 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O3-7-2 + HO2 = CH2CH2CHO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C8H16O4-5-2 + HO2 = C2H5CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O4-5-2 + HO2 = C2H5COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O4-6-2 + HO2 = C3H6 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O4-6-2 + HO2 = CH3CO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O4-7-2 + HO2 = CH2CHO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O4-7-2 + HO2 = C2H4 + IC4H9COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C8H16O5-6-2 + HO2 = CH3CHCO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O5-6-2 + HO2 = C2H3COCH3 + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O5-7-2 + HO2 = HCO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O5-7-2 + HO2 = C2H4 + IC5H11CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C8H16O6-7-2 + HO2 = C2H3CHO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C8H16O6-7-2 + HO2 = CH2CO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-METHYLOCTANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! ! C9H18O1-1-2 + HO2 = C8H16-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-1-2 + HO2 = C8H15 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-2-2 + HO2 = C8H15 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-2-2 + HO2 = C5H11-1 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-3-2 + HO2 = C8H16-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-3-2 + HO2 = NC5H11CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-4-2 + HO2 = C6H12-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-4-2 + HO2 = NC4H9COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-5-2 + HO2 = C5H10-1 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O1-5-2 + HO2 = NC3H7COC2H4P + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O2-3-2 + HO2 = NC5H11CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-3-2 + HO2 = C5H11-1 + IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-4-2 + HO2 = NC4H9CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-4-2 + HO2 = NC4H9CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-5-2 + HO2 = NC3H7CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-5-2 + HO2 = NC3H7COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-6-2 + HO2 = C2H5CHO + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O2-6-2 + HO2 = C2H5COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O3-4-2 + HO2 = NC3H7 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-4-2 + HO2 = PC4H9+ IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-5-2 + HO2 = C5H10-1 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-5-2 + HO2 = NC3H7CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-6-2 + HO2 = C4H8-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-6-2 + HO2 = C2H5COCH2 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-7-2 + HO2 = C3H6 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O3-7-2 + HO2 = CH2CH2COCH3 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O4-5-2 + HO2 = NC3H7CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-5-2 + HO2 = NC3H7COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-6-2 + HO2 = C4H8-1 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-6-2 + HO2 = C2H5CO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-7-2 + HO2 = CH3COCH2 + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-7-2 + HO2 = C3H6 + IC4H9COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-8-2 + HO2 = C2H4 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O4-8-2 + HO2 = CH2CH2CHO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O5-6-2 + HO2 = C2H5CHCO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O5-6-2 + HO2 = C2H5COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O5-7-2 + HO2 = CH3CO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O5-7-2 + HO2 = C3H6 + IC5H11CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O5-8-2 + HO2 = CH2CHO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O5-8-2 + HO2 = C2H4 + IC5H11COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O6-7-2 + HO2 = C2H3COCH3 + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O6-7-2 + HO2 = CH3CHCO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O6-8-2 + HO2 = HCO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O6-8-2 + HO2 = C2H4 + IC6H13CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C9H18O7-8-2 + HO2 = C2H3CHO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C9H18O7-8-2 + HO2 = CH2CO + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! ! ! ! 2-METHYLNONANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C10H20O1-1-2 + HO2 = C9H18-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-1-2 + HO2 = C9H17 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-2-2 + HO2 = C9H17 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-2-2 + HO2 = C6H13-1 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-3-2 + HO2 = C9H18-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-3-2 + HO2 = NC6H13CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-4-2 + HO2 = C7H14-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-4-2 + HO2 = NC5H11COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-5-2 + HO2 = C6H12-1 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O1-5-2 + HO2 = NC4H9COC2H4P + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O2-3-2 + HO2 = NC6H13CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-3-2 + HO2 = C6H13-1 + IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-4-2 + HO2 = NC5H11CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-4-2 + HO2 = NC5H11CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-5-2 + HO2 = NC4H9CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-5-2 + HO2 = NC4H9COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-6-2 + HO2 = NC3H7CHO + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O2-6-2 + HO2 = NC3H7COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O3-4-2 + HO2 = PC4H9 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-4-2 + HO2 = C5H11-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-5-2 + HO2 = C6H12-1 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-5-2 + HO2 = NC4H9CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-6-2 + HO2 = C5H10-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-6-2 + HO2 = NC3H7COCH2 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-7-2 + HO2 = C4H8-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O3-7-2 + HO2 = C2H5COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O4-5-2 + HO2 = NC4H9CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-5-2 + HO2 = NC4H9COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-6-2 + HO2 = C5H10-1 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-6-2 + HO2 = NC3H7CO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-7-2 + HO2 = C2H5COCH2 + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-7-2 + HO2 = C4H8-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-8-2 + HO2 = C3H6 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O4-8-2 + HO2 = CH2CH2COCH3 + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O5-6-2 + HO2 = NC3H7CHCO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-6-2 + HO2 = NC3H7COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-7-2 + HO2 = C2H5CO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-7-2 + HO2 = C4H8-1 + IC5H11CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-8-2 + HO2 = CH3COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-8-2 + HO2 = C3H6 + IC5H11COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-9-2 + HO2 = C2H4 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O5-9-2 + HO2 = CH2CH2CHO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O6-7-2 + HO2 = C2H5COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O6-7-2 + HO2 = C2H5CHCO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O6-8-2 + HO2 = CH3CO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O6-8-2 + HO2 = C3H6 + IC6H13CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O6-9-2 + HO2 = CH2CHO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O6-9-2 + HO2 = C2H4 + IC6H13COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O7-8-2 + HO2 = C2H3COCH3 + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O7-8-2 + HO2 = CH3CHCO + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O7-9-2 + HO2 = HCO + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O7-9-2 + HO2 = C2H4 + IC7H15CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C10H20O8-9-2 + HO2 = C2H3CHO + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C10H20O8-9-2 + HO2 = CH2CO + C8H17-2G + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! ! 2-METHYLDECANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C11H22O1-1-2 + HO2 = C10H20-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-1-2 + HO2 = C10H19 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-2-2 + HO2 = C10H19 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-2-2 + HO2 = C7H15-1 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-3-2 + HO2 = C10H20-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-3-2 + HO2 = NC7H15CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-4-2 + HO2 = C8H16-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-4-2 + HO2 = NC6H13COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-5-2 + HO2 = C7H14-1 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O1-5-2 + HO2 = NC5H11COC2H4P + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O2-3-2 + HO2 = NC7H15CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-3-2 + HO2 = C7H15-1 + IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-4-2 + HO2 = NC6H13CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-4-2 + HO2 = NC6H13CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-5-2 + HO2 = NC5H11CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-5-2 + HO2 = NC5H11COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-6-2 + HO2 = NC4H9CHO + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O2-6-2 + HO2 = NC4H9COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O3-4-2 + HO2 = C5H11-1 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-4-2 + HO2 = C6H13-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-5-2 + HO2 = C7H14-1 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-5-2 + HO2 = NC5H11CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-6-2 + HO2 = C6H12-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-6-2 + HO2 = NC4H9COCH2 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-7-2 + HO2 = C5H10-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O3-7-2 + HO2 = NC3H7COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O4-5-2 + HO2 = NC5H11CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-5-2 + HO2 = NC5H11COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-6-2 + HO2 = C6H12-1 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-6-2 + HO2 = NC4H9CO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-7-2 + HO2 = NC3H7COCH2 + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-7-2 + HO2 = C5H10-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-8-2 + HO2 = C4H8-1 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O4-8-2 + HO2 = C2H5COC2H4P + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O5-6-2 + HO2 = NC4H9CHCO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-6-2 + HO2 = NC4H9COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-7-2 + HO2 = NC3H7CO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-7-2 + HO2 = C5H10-1 + IC5H11CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-8-2 + HO2 = C2H5COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-8-2 + HO2 = C4H8-1 + IC5H11COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-9-2 + HO2 = C3H6 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O5-9-2 + HO2 = CH2CH2COCH3 + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O6-7-2 + HO2 = NC3H7COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-7-2 + HO2 = NC3H7CHCO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-8-2 + HO2 = C2H5CO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-8-2 + HO2 = C4H8-1 + IC6H13CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-9-2 + HO2 = CH3COCH2 + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-9-2 + HO2 = C3H6 + IC6H13COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-10-2 + HO2 = C2H4 + IC6H13COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O6-10-2 + HO2 = CH2CH2CHO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O7-8-2 + HO2 = C2H5COC2H3 + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O7-8-2 + HO2 = C2H5CHCO + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O7-9-2 + HO2 = CH3CO + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O7-9-2 + HO2 = C3H6 + IC7H15CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O7-10-2 + HO2 = CH2CHO + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O7-10-2 + HO2 = C2H4 + IC7H15COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O8-9-2 + HO2 = C2H3COCH3 + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O8-9-2 + HO2 = CH3CHCO + C8H17-2G + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O8-10-2 + HO2 = HCO + C10H20-8-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O8-10-2 + HO2 = C2H4 + IC8H17CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C11H22O9-10-2 + HO2 = C2H3CHO + C8H17-2G + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C11H22O9-10-2 + HO2 = CH2CO + C9H19-2H + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! ! ! 2-METHYLUNDECANE ! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2 ! QO + OH = H2O + PRODUCTS ! QO + HO2 = H2O2 + PRODUCTS ! C12H24O1-1-2 + HO2 = C11H22-1 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-1-2 + HO2 = C11H21 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-2-2 + HO2 = C11H21 + CH2O + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-2-2 + HO2 = C8H17-1 + IC3H5CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-3-2 + HO2 = C11H22-2 + HCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-3-2 + HO2 = NC8H17CO + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-4-2 + HO2 = C9H18-1 + CH3CHCHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-4-2 + HO2 = NC7H15COCH2 + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-5-2 + HO2 = C8H16-1 + IC3H6CHO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O1-5-2 + HO2 = NC6H13COC2H4P + C3H6 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O2-3-2 + HO2 = NC8H17CHO + C3H5-T + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-3-2 + HO2 = C8H17-1 + IC3H6CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-4-2 + HO2 = NC7H15CHO + IC4H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-4-2 + HO2 = NC7H15CO + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-5-2 + HO2 = NC6H13CHO + IC5H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-5-2 + HO2 = NC6H13COCH2 + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-6-2 + HO2 = NC5H11CHO + IC6H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O2-6-2 + HO2 = NC5H11COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O3-4-2 + HO2 = C6H13-1 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-4-2 + HO2 = C7H15-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-5-2 + HO2 = C8H16-1 + IC3H7CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-5-2 + HO2 = NC6H13CO + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-6-2 + HO2 = C7H14-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-6-2 + HO2 = NC5H11COCH2 + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-7-2 + HO2 = C6H12-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O3-7-2 + HO2 = NC4H9COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O4-5-2 + HO2 = NC6H13CHCO + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-5-2 + HO2 = NC6H13COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-6-2 + HO2 = C7H14-1 + IC4H9CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-6-2 + HO2 = NC5H11CO + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-7-2 + HO2 = NC4H9COCH2 + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-7-2 + HO2 = C6H12-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-8-2 + HO2 = C5H10-1 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O4-8-2 + HO2 = NC3H7COC2H4P + DC6H12 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O5-6-2 + HO2 = NC5H11CHCO + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-6-2 + HO2 = NC5H11COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-7-2 + HO2 = NC4H9CO + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-7-2 + HO2 = C6H12-1 + IC5H11CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-8-2 + HO2 = NC3H7COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-8-2 + HO2 = C5H10-1 + IC5H11COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-9-2 + HO2 = C4H8-1 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O5-9-2 + HO2 = C2H5COC2H4P + C7H14-5-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O6-7-2 + HO2 = NC4H9COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-7-2 + HO2 = NC4H9CHCO + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-8-2 + HO2 = NC3H7CO + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-8-2 + HO2 = C5H10-1 + IC6H13CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-9-2 + HO2 = C2H5COCH2 + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-9-2 + HO2 = C4H8-1 + IC6H13COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-10-2 + HO2 = C3H6 + IC6H13COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O6-10-2 + HO2 = CH2CH2COCH3 + C8H16-6-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O7-8-2 + HO2 = NC3H7COC2H3 + EC6H13 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-8-2 + HO2 = NC3H7CHCO + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-9-2 + HO2 = C2H5CO + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-9-2 + HO2 = C4H8-1 + IC7H15CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-10-2 + HO2 = CH3COCH2 + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-10-2 + HO2 = C3H6 + IC7H15COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-11-2 + HO2 = C2H4 + IC7H15COC2H4P + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O7-11-2 + HO2 = CH2CH2CHO + C9H18-7-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O8-9-2 + HO2 = C2H5COC2H3 + C7H15-2F + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O8-9-2 + HO2 = C2H5CHCO + C8H17-2G + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O8-10-2 + HO2 = CH3CO + C10H20-8-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O8-10-2 + HO2 = C3H6 + IC8H17CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O8-11-2 + HO2 = CH2CHO + C10H20-8-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O8-11-2 + HO2 = C2H4 + IC8H17COCH2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O9-10-2 + HO2 = C2H3COCH3 + C8H17-2G + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O9-10-2 + HO2 = CH3CHCO + C9H19-2H + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O9-11-2 + HO2 = HCO + C11H22-9-2 + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O9-11-2 + HO2 = C2H4 + IC9H19CO + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! C12H24O10-11-2 + HO2 = C2H3CHO + C9H19-2H + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / C12H24O10-11-2 + HO2 = CH2CO + C10H21-2I + H2O2 5.00E+12 0 17700 REV / 0.00E+00 0 0 / ! ! ! ! ! ! ! CLASS 30 MISCELLANEOUS REACTIONS ! ! ! ! ! ! ! ! ! ! ! LARGE ALDEHYDES ! SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5 ! ! ! ! ! C4H8CHO4-2 = C2H4+CH3CHCHO 1.031E+15 -0.62 2.317E+04 REV / 1.000E+11 0.00 7.800E+03 / ! ! ! ! ! ! ! ! NC12H25CHO + O2 = NC12H25CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC12H25CHO + OH = NC12H25CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC12H25CHO+H = NC12H25CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC12H25CHO+O = NC12H25CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC12H25CHO+HO2 = NC12H25CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC12H25CHO+CH3 = NC12H25CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC12H25CHO+CH3O = NC12H25CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC12H25CHO+CH3O2 = NC12H25CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC12H25CO = C12H25-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC11H23CHO + O2 = NC11H23CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC11H23CHO + OH = NC11H23CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC11H23CHO+H = NC11H23CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC11H23CHO+O = NC11H23CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC11H23CHO+HO2 = NC11H23CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC11H23CHO+CH3 = NC11H23CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC11H23CHO+CH3O = NC11H23CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC11H23CHO+CH3O2 = NC11H23CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC11H23CO = C11H23-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC10H21CHO + O2 = NC10H21CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC10H21CHO + OH = NC10H21CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC10H21CHO+H = NC10H21CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC10H21CHO+O = NC10H21CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC10H21CHO+HO2 = NC10H21CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC10H21CHO+CH3 = NC10H21CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC10H21CHO+CH3O = NC10H21CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC10H21CHO+CH3O2 = NC10H21CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC10H21CO = C10H21-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC9H19CHO + O2 = NC9H19CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC9H19CHO + OH = NC9H19CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC9H19CHO+H = NC9H19CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC9H19CHO+O = NC9H19CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC9H19CHO+HO2 = NC9H19CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC9H19CHO+CH3 = NC9H19CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC9H19CHO+CH3O = NC9H19CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC9H19CHO+CH3O2 = NC9H19CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC9H19CO = C9H19-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC8H17CHO + O2 = NC8H17CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC8H17CHO + OH = NC8H17CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC8H17CHO+H = NC8H17CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC8H17CHO+O = NC8H17CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC8H17CHO+HO2 = NC8H17CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC8H17CHO+CH3 = NC8H17CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC8H17CHO+CH3O = NC8H17CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC8H17CHO+CH3O2 = NC8H17CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC8H17CO = C8H17-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC7H15CHO + O2 = NC7H15CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC7H15CHO + OH = NC7H15CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC7H15CHO+H = NC7H15CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC7H15CHO+O = NC7H15CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC7H15CHO+HO2 = NC7H15CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC7H15CHO+CH3 = NC7H15CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC7H15CHO+CH3O = NC7H15CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC7H15CHO+CH3O2 = NC7H15CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC7H15CO = C7H15-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! NC6H13CHO + O2 = NC6H13CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / NC6H13CHO + OH = NC6H13CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / NC6H13CHO+H = NC6H13CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / NC6H13CHO+O = NC6H13CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / NC6H13CHO+HO2 = NC6H13CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / NC6H13CHO+CH3 = NC6H13CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / NC6H13CHO+CH3O = NC6H13CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / NC6H13CHO+CH3O2 = NC6H13CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / NC6H13CO = C6H13-1+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! ! ! ! IC12H25CHO + O2 = IC12H25CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC12H25CHO + OH = IC12H25CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC12H25CHO+H = IC12H25CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC12H25CHO+O = IC12H25CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC12H25CHO+HO2 = IC12H25CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC12H25CHO+CH3 = IC12H25CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC12H25CHO+CH3O = IC12H25CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC12H25CHO+CH3O2 = IC12H25CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC12H25CO = C12H25-2K+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC11H23CHO + O2 = IC11H23CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC11H23CHO + OH = IC11H23CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC11H23CHO+H = IC11H23CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC11H23CHO+O = IC11H23CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC11H23CHO+HO2 = IC11H23CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC11H23CHO+CH3 = IC11H23CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC11H23CHO+CH3O = IC11H23CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC11H23CHO+CH3O2 = IC11H23CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC11H23CO = C11H23-2J+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC10H21CHO + O2 = IC10H21CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC10H21CHO + OH = IC10H21CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC10H21CHO+H = IC10H21CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC10H21CHO+O = IC10H21CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC10H21CHO+HO2 = IC10H21CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC10H21CHO+CH3 = IC10H21CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC10H21CHO+CH3O = IC10H21CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC10H21CHO+CH3O2 = IC10H21CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC10H21CO = C10H21-2I+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC9H19CHO + O2 = IC9H19CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC9H19CHO + OH = IC9H19CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC9H19CHO+H = IC9H19CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC9H19CHO+O = IC9H19CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC9H19CHO+HO2 = IC9H19CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC9H19CHO+CH3 = IC9H19CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC9H19CHO+CH3O = IC9H19CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC9H19CHO+CH3O2 = IC9H19CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC9H19CO = C9H19-2H+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC8H17CHO + O2 = IC8H17CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC8H17CHO + OH = IC8H17CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC8H17CHO+H = IC8H17CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC8H17CHO+O = IC8H17CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC8H17CHO+HO2 = IC8H17CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC8H17CHO+CH3 = IC8H17CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC8H17CHO+CH3O = IC8H17CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC8H17CHO+CH3O2 = IC8H17CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC8H17CO = C8H17-2G+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC7H15CHO + O2 = IC7H15CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC7H15CHO + OH = IC7H15CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC7H15CHO+H = IC7H15CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC7H15CHO+O = IC7H15CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC7H15CHO+HO2 = IC7H15CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC7H15CHO+CH3 = IC7H15CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC7H15CHO+CH3O = IC7H15CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC7H15CHO+CH3O2 = IC7H15CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC7H15CO = C7H15-2F+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! IC6H13CHO + O2 = IC6H13CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC6H13CHO + OH = IC6H13CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC6H13CHO+H = IC6H13CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC6H13CHO+O = IC6H13CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC6H13CHO+HO2 = IC6H13CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC6H13CHO+CH3 = IC6H13CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC6H13CHO+CH3O = IC6H13CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC6H13CHO+CH3O2 = IC6H13CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC6H13CO = EC6H13+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! ! IC5H11CHO + O2 = IC5H11CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC5H11CHO + OH = IC5H11CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC5H11CHO+H = IC5H11CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC5H11CHO+O = IC5H11CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC5H11CHO+HO2 = IC5H11CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC5H11CHO+CH3 = IC5H11CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC5H11CHO+CH3O = IC5H11CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC5H11CHO+CH3O2 = IC5H11CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC5H11CO = DC5H11+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! ! IC4H9CHO + O2 = IC4H9CO+HO2 2.000E+13 0.50 4.220E+04 REV / 1.000E+07 0.00 4.000E+04 / IC4H9CHO + OH = IC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV / 1.740E+10 0.76 3.120E+04 / IC4H9CHO+H = IC4H9CO+H2 4.000E+13 0.00 4.200E+03 REV / 1.800E+13 0.00 2.400E+04 / IC4H9CHO+O = IC4H9CO + OH 5.000E+12 0.00 1.790E+03 REV / 1.000E+12 0.00 1.900E+04 / IC4H9CHO+HO2 = IC4H9CO+H2O2 2.800E+12 0.00 1.360E+04 REV / 1.000E+12 0.00 1.000E+04 / IC4H9CHO+CH3 = IC4H9CO+CH4 1.700E+12 0.00 8.440E+03 REV / 1.500E+13 0.00 2.800E+04 / IC4H9CHO+CH3O = IC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03 REV / 3.000E+11 0.00 1.800E+04 / IC4H9CHO+CH3O2 = IC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV / 2.500E+10 0.00 1.000E+04 / IC4H9CO = IC4H9+CO 1.000E+11 0.00 9.600E+03 REV / 1.000E+11 0.00 0.000 / ! ! ! ! ! ! ! ! ! ! NC3H7COC2H3+H = H2+C3H6+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3 + OH = H2O+C3H6+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3+O = OH+C3H6+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3+HO2 = H2O2+C3H6+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC3H7COC2H3+H = H2+C2H5CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3 + OH = H2O+C2H5CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3+O = OH+C2H5CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7COC2H3+HO2 = H2O2+C2H5CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! NC4H9COC2H3+H = H2+C4H8-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3 + OH = H2O+C4H8-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3+O = OH+C4H8-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3+HO2 = H2O2+C4H8-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC4H9COC2H3+H = H2+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3 + OH = H2O+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3+O = OH+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9COC2H3+HO2 = H2O2+NC3H7CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! NC5H11COC2H3+H = H2+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3+O = OH+C5H10-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC5H11COC2H3+H = H2+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3+O = OH+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! NC6H13COC2H3+H = H2+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3+O = OH+C6H12-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC6H13COC2H3+H = H2+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3 + OH = H2O+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3+O = OH+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13COC2H3+HO2 = H2O2+NC5H11CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC7H15COC2H3+H = H2+C7H14-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3 + OH = H2O+C7H14-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3+O = OH+C7H14-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3+HO2 = H2O2+C7H14-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC7H15COC2H3+H = H2+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3 + OH = H2O+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3+O = OH+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15COC2H3+HO2 = H2O2+NC6H13CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC8H17COC2H3+H = H2+C8H16-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3 + OH = H2O+C8H16-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3+O = OH+C8H16-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3+HO2 = H2O2+C8H16-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC8H17COC2H3+H = H2+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3 + OH = H2O+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3+O = OH+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17COC2H3+HO2 = H2O2+NC7H15CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC9H19COC2H3+H = H2+C9H18-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3 + OH = H2O+C9H18-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3+O = OH+C9H18-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3+HO2 = H2O2+C9H18-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC9H19COC2H3+H = H2+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3 + OH = H2O+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3+O = OH+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19COC2H3+HO2 = H2O2+NC8H17CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC10H21COC2H3+H = H2+C10H20-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3 + OH = H2O+C10H20-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3+O = OH+C10H20-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3+HO2 = H2O2+C10H20-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC10H21COC2H3+H = H2+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3 + OH = H2O+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3+O = OH+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21COC2H3+HO2 = H2O2+NC9H19CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC11H23COC2H3+H = H2+C11H22-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3 + OH = H2O+C11H22-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3+O = OH+C11H22-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3+HO2 = H2O2+C11H22-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC11H23COC2H3+H = H2+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3 + OH = H2O+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3+O = OH+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23COC2H3+HO2 = H2O2+NC10H21CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC12H25COC2H3+H = H2+C12H24-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3 + OH = H2O+C12H24-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3+O = OH+C12H24-1+C2H3CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3+HO2 = H2O2+C12H24-1+C2H3CO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC12H25COC2H3+H = H2+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3 + OH = H2O+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3+O = OH+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC12H25COC2H3+HO2 = H2O2+NC11H23CHCO+C2H3 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / ! ! NC3H7CHCO+H = H2+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7CHCO+O = OH+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7CHCO + OH = H2O+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7CHCO+HO2 = H2O2+C3H6+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC3H7CHCO+H = PC4H9+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7CHCO+O = C4H8-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC3H7CHCO + OH = PC4H9+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! NC4H9CHCO+H = H2+C4H8-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9CHCO+O = OH+C4H8-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9CHCO + OH = H2O+C4H8-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9CHCO+HO2 = H2O2+C4H8-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC4H9CHCO+H = C5H11-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9CHCO+O = C5H10-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC4H9CHCO + OH = C5H11-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! NC5H11CHCO+H = H2+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11CHCO+O = OH+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11CHCO + OH = H2O+C5H10-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11CHCO+HO2 = H2O2+C5H10-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC5H11CHCO+H = C6H13-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11CHCO+O = C6H12-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC5H11CHCO + OH = C6H13-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! NC6H13CHCO+H = H2+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13CHCO+O = OH+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13CHCO + OH = H2O+C6H12-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13CHCO+HO2 = H2O2+C6H12-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC6H13CHCO+H = C7H15-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13CHCO+O = C7H14-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC6H13CHCO + OH = C7H15-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! NC7H15CHCO+H = H2+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15CHCO+O = OH+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15CHCO + OH = H2O+C7H14-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15CHCO+HO2 = H2O2+C7H14-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC7H15CHCO+H = C8H17-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15CHCO+O = C8H16-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC7H15CHCO + OH = C8H17-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! NC8H17CHCO+H = H2+C8H16-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17CHCO+O = OH+C8H16-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17CHCO + OH = H2O+C8H16-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17CHCO+HO2 = H2O2+C8H16-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC8H17CHCO+H = C9H19-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17CHCO+O = C9H18-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC8H17CHCO + OH = C9H19-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! NC9H19CHCO+H = H2+C9H18-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19CHCO+O = OH+C9H18-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19CHCO + OH = H2O+C9H18-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19CHCO+HO2 = H2O2+C9H18-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC9H19CHCO+H = C10H21-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19CHCO+O = C10H20-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC9H19CHCO + OH = C10H21-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! NC10H21CHCO+H = H2+C10H20-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21CHCO+O = OH+C10H20-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21CHCO + OH = H2O+C10H20-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21CHCO+HO2 = H2O2+C10H20-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC10H21CHCO+H = C11H23-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21CHCO+O = C11H22-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC10H21CHCO + OH = C11H23-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! NC11H23CHCO+H = H2+C11H22-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23CHCO+O = OH+C11H22-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23CHCO + OH = H2O+C11H22-1+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23CHCO+HO2 = H2O2+C11H22-1+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / NC11H23CHCO+H = C12H25-1+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23CHCO+O = C12H24-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / NC11H23CHCO + OH = C12H25-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! ! IC3H7CHCO+H = H2+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / IC3H7CHCO+O = OH+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / IC3H7CHCO + OH = H2O+C3H6+HCCO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / IC3H7CHCO+HO2 = H2O2+C3H6+HCCO 5.000E+12 0.00 15000. REV / 0.00 0.00 0.00 / IC3H7CHCO+H = PC4H9+CO 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / IC3H7CHCO+O = C4H8-1+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / IC3H7CHCO + OH = PC4H9+CO2 3.000E+12 0.00 0.000 REV / 0.00 0.00 0.00 / ! ! DECOMPOSITION OF LARGE RADICALS ! ! ! NC12H25COCH2 = C12H25-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC11H23COCH2 = C11H23-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC10H21COCH2 = C10H21-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC9H19COCH2 = C9H19-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC8H17COCH2 = C8H17-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC7H15COCH2 = C7H15-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC6H13COCH2 = C6H13-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / NC5H11COCH2 = C5H11-1+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / ! IC12H25COCH2 = C12H25-2J+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC11H23COCH2 = C11H23-2I+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC10H21COCH2 = C10H21-2H+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC9H19COCH2 = C9H19-2G+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC8H17COCH2 = C8H17-2F+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC7H15COCH2 = C7H15-2E+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC6H13COCH2 = DC6H13+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC5H11COCH2 = CC5H11+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC4H9COCH2 = PC4H9+CH2CO 2.000E+13 0.00 31000. REV / 2.000E+11 0.00 7350. / IC3H7COCH2 = IC3H7+CH2CO 2.880E+15 -0.54 3.994E+04 REV / 8.000E+10 0.00 1.060E+04 / ! NC12H25COC2H4P = NC12H25CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC11H23COC2H4P = NC11H23CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC10H21COC2H4P = NC10H21CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC9H19COC2H4P = NC9H19CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC8H17COC2H4P = NC8H17CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC7H15COC2H4P = NC7H15CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC6H13COC2H4P = NC6H13CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC5H11COC2H4P = NC5H11CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC4H9COC2H4P = NC4H9CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! ! IC12H25COC2H4P = IC12H25CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC11H23COC2H4P = IC11H23CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC10H21COC2H4P = IC10H21CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC9H19COC2H4P = IC9H19CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC8H17COC2H4P = IC8H17CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC7H15COC2H4P = IC7H15CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC6H13COC2H4P = IC6H13CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC5H11COC2H4P = IC5H11CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC4H9COC2H4P = IC4H9CO+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! ! NC12H25COC3H6P = NC12H25COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC11H23COC3H6P = NC11H23COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC10H21COC3H6P = NC10H21COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC9H19COC3H6P = NC9H19COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC8H17COC3H6P = NC8H17COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC7H15COC3H6P = NC7H15COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC6H13COC3H6P = NC6H13COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC5H11COC3H6P = NC5H11COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC4H9COC3H6P = NC4H9COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / NC3H7COC3H6P = NC3H7COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! ! IC12H25COC3H6P = IC12H25COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC11H23COC3H6P = IC11H23COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC10H21COC3H6P = IC10H21COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC9H19COC3H6P = IC9H19COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC8H17COC3H6P = IC8H17COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC7H15COC3H6P = IC7H15COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC6H13COC3H6P = IC6H13COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC5H11COC3H6P = IC5H11COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC4H9COC3H6P = IC4H9COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / IC3H7COC3H6P = IC3H7COCH2+C2H4 5.000E+17 -1.5 26000. REV / 2.500E+11 0.00 7800. / ! C5 SUBMECHANISM FROM WESTBROOKS 2METHYLHEPTANE MECH FOR AC5H11, BC5H11, CC5H11, DC5H11, AC5H10, BC5H10, CC5H10, IC5H11 AC5H11 = C3H6+C2H5 1.028E+18 -1.19 3.144E+04 REV / 1.500E+11 0.00 1.060E+04 / AC5H11 = C4H8-1+CH3 1.094E+16 -0.86 2.980E+04 REV / 1.500E+11 0.00 9.200E+03 / AC5H11 = AC5H10+H 4.550E+16 -0.92 3.637E+04 REV / 1.000E+13 0.00 3.200E+03 / AC5H11 + O2 = AC5H10+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / AC5H11 = DC5H11 3.000E+11 0.00 2.110E+04 REV / 3.000E+11 0.00 2.110E+04 / BC5H11 = IC4H8+CH3 1.033E+14 -0.32 2.854E+04 REV / 3.300E+11 0.00 7.200E+03 / BC5H11 = AC5H10+H 1.042E+15 -0.39 3.870E+04 REV / 1.000E+13 0.00 1.200E+03 / BC5H11 = BC5H10+H 2.976E+15 -0.63 3.744E+04 REV / 1.000E+13 0.00 2.900E+03 / BC5H11 + O2 = AC5H10+HO2 9.000E-19 0.00 5.020E+03 REV / 2.000E-19 0.00 1.750E+04 / BC5H11 + O2 = BC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC5H11 = C4H8-2+CH3 1.067E+15 -0.77 2.936E+04 REV / 1.500E+11 0.00 9.200E+03 / CC5H11 = BC5H10+H 8.732E+15 -0.83 3.592E+04 REV / 1.000E+13 0.00 3.200E+03 / CC5H11 = CC5H10+H 1.478E+15 -0.56 4.000E+04 REV / 1.000E+13 0.00 2.900E+03 / CC5H11 + O2 = BC5H10+HO2 1.500E-19 0.00 2.000E+03 REV / 2.000E-19 0.00 1.750E+04 / CC5H11 + O2 = CC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / DC5H11 = C2H4+IC3H7 1.138E+15 -0.42 2.701E+04 REV / 3.300E+11 0.00 7.200E+03 / DC5H11 = CC5H10+H 2.199E+16 -0.90 3.748E+04 REV / 1.000E+13 0.00 2.900E+03 / DC5H11 + O2 = CC5H10+HO2 3.000E-19 0.00 3.000E+03 REV / 2.000E-19 0.00 1.750E+04 / AC5H10 + OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / BC5H10 + OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / CC5H10 + OH = IC5H9+H2O 1.000E+12 0.00 1.230E+03 REV / 5.000E+12 0.00 2.650E+04 / AC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / BC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / CC5H10+H = IC5H9+H2 1.000E+12 0.00 3.800E+03 REV / 1.000E+12 0.00 2.500E+04 / AC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / BC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / CC5H10+CH3 = IC5H9+CH4 5.000E+11 0.00 7.300E+03 REV / 6.000E+11 0.00 2.500E+04 / AC5H10+O = IC5H9 + OH 3.700E+05 2.56 -1.130E+03 REV / 1.000E+12 0.00 2.500E+04 / BC5H10+O = IC5H9 + OH 3.700E+05 2.56 -1.130E+03 REV / 1.000E+12 0.00 2.500E+04 / IC5H9 = C3H4-A+C2H5 1.983E+20 -1.63 5.924E+04 REV / 2.000E+11 0.00 8.300E+03 / BC5H10 = CH3+C4H72-2 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / CC5H10 = CH3+C4H72-2 2.500E+16 0.00 7.100E+04 REV / 1.000E+13 0.00 0.000E+00 / !C6 SUBMECHANISM FROM WESTBROOK'S 2METHYLHEPTANE MECHANISM FOR EC6H13, DC6H13, DC6H12, CC6H12, AND IC6H11 DC6H13 = IC3H7+C3H6 4.803E+13 -0.03 2.790E+04 REV/ 1.000E+11 0.00 7.800E+03 / DC6H13 = CC6H12+H 4.770E+15 -0.73 3.786E+04 REV/ 1.600E+13 0.00 2.900E+03 / DC6H13 = DC6H12+H 2.237E+15 -0.55 3.876E+04 REV/ 1.600E+13 0.00 1.200E+03 / EC6H13 = IC4H9+C2H4 1.616E+18 -1.56 3.040E+04 REV/ 1.700E+11 0.00 7.800E+03 / EC6H13 = DC6H12+H 3.314E+16 -0.89 3.795E+04 REV/ 1.600E+13 0.00 2.900E+03 / ! DC6H13 + O2 = CC6H12+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / DC6H13 + O2 = DC6H12+HO2 4.500E-19 0.00 5.020E+03 REV/ 2.000E-19 0.00 1.750E+04 / EC6H13 + O2 = DC6H12+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / ! CC6H12 + OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV/ 8.986E+14 -0.06 3.864E+04 / DC6H12 + OH = IC6H11+H2O 3.000E+13 0.00 1.230E+03 REV/ 4.214E+14 0.11 4.124E+04 / ! CC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV/ 2.560E+14 -0.06 2.615E+04 / DC6H12+H = IC6H11+H2 3.700E+13 0.00 3.900E+03 REV/ 1.200E+14 0.11 2.875E+04 / ! CC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV/ 1.807E+14 -0.06 3.003E+04 / DC6H12+CH3 = IC6H11+CH4 1.000E+12 0.00 7.300E+03 REV/ 8.476E+13 0.11 3.263E+04 / ! CC6H12+O = IC6H11 + OH 2.304E+11 0.06 9.745E+03 REV/ 7.000E+11 0.00 2.990E+04 / DC6H12+O = IC6H11 + OH 4.912E+11 -0.11 7.145E+03 REV/ 7.000E+11 0.00 2.990E+04 / ! IC6H11 = C3H6+C3H5-A 2.500E+13 0.00 4.500E+04 REV/ 0.000 0.00 0.000 / ! ! CC6H12 + OH = IC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03 REV/ 0.000 0.00 0.000 / DC6H12 + OH = DC5H11+CH2O 1.000E+11 0.00 -4.000E+03 REV/ 0.000 0.00 0.000 / ! CC6H12+O = IC4H9+CH3CO 1.000E+11 0.00 -1.050E+03 REV/ 0.000 0.00 0.000 / DC6H12+O = DC5H11+HCO 1.000E+11 0.00 -1.050E+03 REV/ 0.000 0.00 0.000 / ! CC6H12 = CH3+IC5H9 1.000E+16 0.00 7.100E+04 REV/ 1.000E+13 0.00 0.000 / DC6H12 = IC3H7+C3H5-A 1.000E+16 0.00 7.100E+04 REV/ 1.000E+13 0.00 0.000 / ! ! !CH3CHCHO CHEMISTRY CH3CHCHO+HO2 = C2H5CHO + O2 7.350E+12 0.00 1.310E+03 REV / 8.071E+13 -0.08 4.507E+04 / CH3CHCHO+HO2 = CH3CHOCHO + OH 9.640E+12 0.00 0.000E+00 REV / 1.552E+16 -0.96 2.174E+04 / CH3CHOCHO = CH3CHO+HCO 3.980E+13 0.00 9.700E+03 REV / 4.335E+05 1.72 8.282E+03 / CH3CHCHO = C2H3CHO+H 3.515E+15 -0.51 4.106E+04 REV / 6.500E+12 0.00 2.900E+03 / CH3CHCHO = CH3CHCO+H 1.135E+16 -0.66 4.031E+04 REV / 5.000E+12 0.00 1.200E+03 / CH3CHCHO+H2 = C2H5CHO+H 2.160E+05 2.38 1.899E+04 REV / 4.309E+04 2.63 5.265E+03 / C2H5CHO+HO2 = CH3CHCHO+H2O2 8.000E+10 0.00 1.192E+04 REV / 1.031E+13 -0.57 9.337E+03 / CH3CHCHO + O2 = CH3CHCO+HO2 1.810E+11 0.00 1.840E+03 REV / 2.731E+10 -0.01 1.269E+04 / CH3CHCHO + O2 = C2H3CHO+HO2 2.725E+11 0.00 7.240E+03 REV / 1.726E+11 -0.16 1.904E+04 / CH3CHCHO + O2 = CH3CHO+CO + OH 3.620E+10 0.00 0.000E+00 REV / 0.000E+00 0.00 0.000E+00 / ! ! IC3H7COC2H3 + OH = IC3H6COC2H3+H2O 1.530E+08 1.53 8.775E+03 REV / 3.039E+07 1.53 2.821E+04 / IC3H7COC2H3 + OH = TC3H6COC2H3+H2O 1.684E+12 0.00 -7.810E+02 REV / 1.073E+10 0.49 2.321E+04 / IC3H7COC2H3 + OH = CH3CHO+IC3H7CO 1.530E+08 1.53 8.775E+03 REV / 1.013E+03 2.76 2.841E+04 / IC3H7COC2H3+HO2 = IC3H6COC2H3+H2O2 2.740E+04 2.55 1.550E+04 REV / 3.231E+04 2.22 3.467E+03 / IC3H7COC2H3+HO2 = TC3H6COC2H3+H2O2 8.000E+10 0.00 1.192E+04 REV / 3.027E+09 0.16 4.451E+03 / IC3H7COC2H3+HO2 = CH2CHO+IC3H7CO + OH 6.030E+09 0.00 7.949E+03 REV / 1.000E+00 0.00 0.000E+00 / IC3H7COC2H3+CH3O2 = IC3H6COC2H3+CH3O2H 2.000E+04 2.55 1.550E+04 REV / 9.691E+04 2.04 2.747E+03 / IC3H7COC2H3+CH3O2 = TC3H6COC2H3+CH3O2H 3.610E+03 2.55 8.032E+03 REV / 5.612E+02 2.53 -1.568E+02 / IC3H7COC2H3+CH3O2 = CH2CHO+IC3H7CO+CH3O 3.970E+11 0.00 1.705E+04 REV / 1.000E+00 0.00 0.000E+00 / IC3H6COC2H3 = C3H6+C2H3CO 1.119E+17 -1.24 2.060E+04 REV / 8.000E+10 0.00 1.060E+04 / TC3H6COC2H3 = IC3H6CO+C2H3 1.460E+13 -0.06 4.725E+04 REV / 8.000E+10 0.00 1.160E+04 / ! ! !!!! CLASS 23 ADDITIONAL REACTIONS FOR OOH GROUP ON TERTIARY SITE !!! ! C7OOH2-OO4-2 = C2H4 + OH + IC5KETDB 3.75E+10 0.00 2.400E+04 !6M,P REV/ 0.000E+00 0.000 0.000E+00 / ! ! C7OOH2-OO3-2 = C3H6 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! ! C8OOH2-OO4-2 = C3H6 + OH + IC5KETDB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C8OOH2-OO5-2 = C2H4 + OH + IC6KETEB 3.75E+10 0.00 2.400E+04 !6M,P REV/ 0.000E+00 0.000 0.000E+00 / ! ! C8OOH2-OO3-2 = C4H8-1 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! ! C9OOH2-OO4-2 = C4H8-1 + OH + IC5KETDB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C9OOH2-OO5-2 = C3H6 + OH + IC6KETEB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C9OOH2-OO6-2 = C2H4 + OH + C7KET6-2-2 3.75E+10 0.00 2.400E+04 !6M,P REV/ 0.000E+00 0.000 0.000E+00 / ! ! C9OOH2-OO3-2 = C5H10-1 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! C10OOH2-OO4-2 = C5H10-1 + OH + IC5KETDB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C10OOH2-OO5-2 = C4H8-1 + OH + IC6KETEB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C10OOH2-OO6-2 = C3H6 + OH + C7KET6-2-2 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! C10OOH2-OO3-2 = C6H12-1 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! C11OOH2-OO4-2 = C6H12-1 + OH + IC5KETDB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C11OOH2-OO5-2 = C5H10-1 + OH + IC6KETEB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C11OOH2-OO6-2 = C4H8-1 + OH + C7KET6-2-2 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! C11OOH2-OO3-2 = C7H14-1 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! C12OOH2-OO4-2 = C7H14-1 + OH + IC5KETDB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C12OOH2-OO5-2 = C6H12-1 + OH + IC6KETEB 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / C12OOH2-OO6-2 = C5H10-1 + OH + C7KET6-2-2 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! C12OOH2-OO3-2 = C8H16-1 + OH + IC4KETIT 2.50E+10 0.00 2.045E+04 !6M,S REV/ 0.000E+00 0.000 0.000E+00 / ! ! ! ! IC5KETDB<=>CH3COCH3+CH2CHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / IC6KETEB<=>CH3COCH3+CH2CH2CHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !CY13PD ! !INITIATIONS ! CY13PD=CY13PD5J+H 1.00E+15 0.0 78000.0 !NIST CY13PD+O2=CY13PD5J+HO2 5.00E+12 0.0 37150.0 ! ! ! !ADDITIONS ! ! ! CY13PD+H=CYC5H7U1 4.0E+12 0.0 0.0 CY13PD+OH=AC3H4CH2CHO 1.00E+13 0.0 0.0 AC3H4CH2CHO<=>C3H4-A+CH2CHO 4.132E+20 -2.360 5.247E+04 !!!FROM IC8 !CY13PD+CH3=CH3CY24PD+H 4.0E+12 0.0 6000.0 !MM CY13PD+CH3=CH3CY24PD+H 8.11E+00 3.182 9382.99 ! WJP: based on reverse rate from thermo of C6H5CH3+H<=>C6H6+CH3 !SUBSTITUTIONS ! CY13PD+O=C4H6+CO 1.02E+14 -0.34 4674.0 ! !ABSTRACTIONS ! CY13PD+H=H2+CY13PD5J 1.60E+06 2.4 4471.0 !PITZ2001 CY13PD+O=CY13PD5J+OH 6.03E+10 0.7 7633.0 !PITZ2001 CY13PD+OH=CY13PD5J+H2O 4.12E+06 2.00 -298.0 !PITZ2001 CY13PD+HO2=CY13PD5J+H2O2 4.00E+12 0.0 15900.0 !PITZ2001 CY13PD+HCO=CY13PD5J+CH2O 7.20E+06 1.9 17010.0 !PITZ2001 CY13PD+CH3=CH4+CY13PD5J 1.80E-01 4.0 0.0 !PITZ2001 CY13PD+C2H3=CY13PD5J+C2H4 1.20E-01 4.0 0.0 !PITZ2001 CY13PD+C3H5-A=C3H6+CY13PD5J 6.00E+12 0.0 15000.0 !PITZ2001 CY13PD+C3H3=CY13PD5J+C3H4-A 6.00E+12 0.000 12000.0 !MM CY13PD+C3H3=CY13PD5J+C3H4-P 6.00E+12 0.000 12000.0 !MM CY13PD+NC4H5=C4H6+CY13PD5J 3.00E+12 0.0 5000.0 !MM CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH 1.00E+12 0.0 6000.0 !MM CY13PD+C6H5=C6H6+CY13PD5J 6.00E+12 0.0 6000.0 !MM CY13PD+C6H5OJ=CY13PD5J+C6H5OH 8.00E+12 0.000 10000.0 !MM ! CY13PD+C6H5=CJCXCC#C+C6H6 1.87E+00 3.81 2206 CY13PD+H=CJCXCC#C+H2 8.040E+05 2.500 1.228E+04 ! ! CJCXCC#C+HO2=OH+CO+NC4H5 8.000E+12 0.00 0.00 CJCXCC#C+O2=CO+C3H3+CH2O 1.000E+12 0.00 0.00 ! ! ! CY13PD+C2H3=C6H6+CH3 2.12E+67 -16.08 42640.0 !PITZ2001 ! !CONDENSATIONS ! CY13PD+CY13PD=DICYPD 1.00E+13 0.0 31250.0 !PITZ2001 ! CY13PD5J+CY13PD5J=C10H10 1.00E+12 0.0 10000.0 !!!MM 1.84E+150 -40.75 67789.0 !PITZ2001 ! CY13PD5J+CY13PD5J=BICPDJ+H 2.00E+12 0.0 8000.0 ! 2001LIN/MAU409-432 !!!REV/ 1.00E+14 0.0 0.0 / ! CY13PD+CY13PD5J=IND+CH3 2.00E+12 0.00 20000.0 CY13PD+CY13PD5J=C10H10+H 3.22E+15 -1.37 16710.0 CY13PD+NC4H5=CR3+H 2.168E+12 0.0 5007.1 !TSANG1991 ! ! CY13PD5J=CJCXCC#C 2.0E+13 0.00 77000.0 ! ! 2000MOS/LIN415-425! FREQ_FAC2 CJCXCC#C=C3H3+C2H2 1.00E+13 0.00 38000.0 !MM 1.00E+12 0.0 31000.0 !ALZUETA19982000 C3H3+CH3=C4H6 1.00E+14 0.0 0.0 ! ! CY13PD5J+C2H3CHO=C2H3CO+CY13PD 1.00E+13 0.0 8843.0 !PITZ2001 CY13PD5J+HO2=CYC5H5OJ+OH 8.00E+12 0.0 0.0000 !MM () CY13PD5J+HO2=CPDOOH 1.99E+68 -17.17 19570.0 !PITZ2001 ! ! CY13PD5J+O2=OXCCXCCJCXO 2.11E+17 -2.25 8390.0 !PITZ2001 ! ! ! ! HCO+CXCCXCXO=OXCCXCCJCXO 4.00E+11 0.0 4100.0 ! ! ! ! !TERMINATIONS ! CY13PD5J+OH=CYC5H5OH 1.24E+14 -0.57 0.0 !PITZ2001 CY13PD5J+C2H3=CPDCXC 4.82E+13 0.0 0.0 !PITZ2001 ! ! !CH3CY24PD ! CH3CY24PD+OH=H2O+CH2CY24PD 1.63E+08 1.42 1451.0 !MM TEST CH3CY24PD+CH3=CH4+CPDJCH3 2.50E+11 0.0 5000.0 !PITZ2001 (The position of the radical site changes continuosly) CH3CY24PD+CH3=CH4+CH2CY24PD 2.50E+11 0.0 6000.0 !PITZ2001 (The position of the radical site changes continuosly) CH3CY24PD+H=H2+CH2CY24PD 1.20E+14 0.0 8000.0 !PITZ2001 ! ! CY13PD5J+CH3=H+CH2CY24PD 6.25E+48 -10.44 19130.0 !(The recombination of the radical leads directly to the formation of the precursor of fulvene) !!!REV/ 1.00E+14 0.0 0.0 / !CH2CY24PD=H+FULVENE 1.00E+14 0.0 20000.0 !MM TEST H+FULVENE=CH2CY24PD 6.250E+11 0.510 2.620E+03 !WJP: analogy to H+iC4H8=iC4H9 from Curran IJCK 2004 !!!REV/ 1.00E+14 0.0 0.0 / ! ! ! ! CH3CY24PD+OH=H2O+CPDJCH3 1.63E+08 1.42 1451.0 !MM TEST CPDJCH3=H+C6H6 1.00E+14 0.0 30000.0 !MM TEST ! ! CY13PD5J+C3H6=CPDCXC+CH3 1.49E+11 -0.06 29790.0 !PITZ2001 CY13PD5J+C3H4-P=STYR+H 1.49E+11 -0.06 29790.0 !MM ! ! ! ! ! ! ! !C6H6+C2H3=STYR+H 7.94E+11 0.0 6400.0 !PITZ2001 CYC6H7=C6H6+H 3.00E+13 0.0 28400.0 !MM 1985DEA4600-4608 CYC6H7+H=C4H6+C2H2 6.50E+13 0.0 0.0 !PITZ2001 CYC6H7=LINC6H7 3.00E+13 0.0 46400.0 !PITZ2001 LINC6H7=NC4H5+C2H2 5.50E+14 0.0 41000.0 !PITZ2001 ! ! ! !RING OPENING ! CY13PD5J+O=NC4H5+CO 1.51E+14 -0.29 350.0 ! ! ! ! CY13PD5J+O=CYC5H5OJ 3.20E-08 4.71 -12990.0 !PITZ2001 ! ! ! ! ! ! ! BICPD+H=BICPDJ+H2 1.30E+06 2.4 4471.0 !PITZ2001 BICPD+H=C10H9+H2 0.20E+06 2.4 4471.0 !MM TEST BICPD+O2=BICPDJ+HO2 4.00E+13 0.0 37150.0 !PITZ2001 BICPD+OH=BICPDJ+H2O 3.12E+06 2.00 -298.0 !PITZ2001 BICPD+O=BICPDJ+OH 6.03E+10 0.7 7633.0 !PITZ2001 BICPD+HO2=BICPDJ+H2O2 4.00E+12 0.0 15900.0 !PITZ2001 BICPD+CH3=BICPDJ+CH4 1.80E-01 4.0 0.0 !PITZ2001 BICPD+CY13PD5J=BICPDJ+CY13PD 7.900E+10 0.00 1.240E+04 !MM BICPDJ=NAPH+H 1.00E+14 0.0 40000.0 !PITZ2001 3.00E+11 0.0 20000.0 !!!! BICPDJ+O2=NAPH+HO2 3.00E+11 0.0 20000.0 !PITZ2001 ! ! ! CXCCXCC+H=C4H6+CH3 5.20E+71 -16.38 51060.0 !PITZ2001 CXCCXCC+H=CXCCXCCJ+H2 7.00E+06 2.00 5000.0 !ALZUETA19982000 CXCCXCC+OH=CXCCXCCJ+H2O 7.00E+06 2.00 0.0 !ALZUETA19982000 CXCCJCXC=CXCCXCCJ 5.35E+11 -0.7 60.0 !PITZ2001 !!!!(TO BE CANCELLED ????) CXCCJCXC+O2=C2H3CHO+CH2CHO 1.20E+36 -7.25 33600.0 !ALZUETA19982000 CXCCXCCJ+O2=C2H3CHCHO+CH2O 8.16E+10 0.18 9140.0 !PITZ2001 CXCCXCCJ+H=CXCCXCC 2.33E+20 -1.6 3020.0 !PITZ2001 CXCCXCCJ+H=NC4H5+CH3 2.91E+26 -2.18 36770.0 !PITZ2001 CXCCXCCJ+OH=CXCCXCCOH 1.50E+13 0.0 0.0 !ALZUETA19982000 CXCCXCCJ+O=C2H3CHO+C2H3 2.00E+14 0.0 0.0 !ALZUETA19982000 CXCCXCCJ+HO2=C2H3CHO+C2H3+OH 8.00E+12 0.0 0.0 ! ! ! ! !CPDOOH=CYC5H5OJ+OH 1.00E+16 0.00 39000.0 CPDOOH=CYC5H5OJ+OH 2.00E+16 0.00 43000.0 !WJP: reaction rate rule for rooh=ro+oh REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.) ! ! ! CYPDONE+H=CO+NC4H5 2.13E+61 -13.27 40810.0 !PITZ2001 CYPDONE+H=OXCJCXCCXC 1.60E+65 -14.94 36980.0 !PITZ2001 CYPDONE+O=CJXCCXCXO+HCO 1.0E+13 0.0 2000.0 !PITZ2001 !!!CYPDONE+OH=C2H3CHCHO+CO 1.0E+13 0.0 0000.0 ! CYPDONE+OH=C3H4-A+HCO+CO 1.0E+13 0.0 0000.0 ! ! CYPDONE+OH=H2O+CPDJONE 5.30E+07 1.42 1451.0 !PITZ2001 CYPDONE+O=CPDJONE+OH 1.40E+13 0.0 14700.0 !PITZ2001 ! ! CYPDONE=C2H2+C2H2+CO 5.70E+32 -6.76 68500.0 !PITZ2001 ! ! CPDJONE+O2=CO2+CJXCCXCXO 9.67E+58 -13.47 38180.0 !PITZ2001 CPDJONE=>C2H2+CO+C2H 2.00E+13 0.0 51000.0 !PITZ2001 ! ! ! C4H6+OH=NC4H5+H2O 1.800E+06 2.00 2.500E+03 !MM VINYLIC 8.43E+12 0.0 -874.0 !PITZ2001 C4H6+O2<=>NC4H5+HO2 4.00E+13 0.00 5.820E+04 !MM similar to c2h3+ho2 ! ! NC4H5+C2H4=C4H6+C2H3 6.31E+11 0.00 7800.0 !PITZ2001 NC4H5+H2=H+C4H6 3.90E+09 0.50 3704.0 !PITZ2001 NC4H5+CH2O=C4H6+HCO 5.42E+03 2.81 5860.0 !MM NC4H5+H=C4H6 1.13E+45 -9.05 15830.0 !PITZ2001 NC4H5+H=C2H3+C2H3 3.91E+46 -8.66 32250.0 !PITZ2001 NC4H5=C2H2+C2H3 1.00E+14 0.0 43890.0 !PITZ2001 NC4H5+O2=C2H3CHO+HCO 3.32E+24 -3.67 6190.0 !PITZ2001 !!!!!NC4H5+CH3=C5H81-3 5.00E+13 0.0 0.0 !MM NC4H5+C2H2=C6H6+H 1.39E+16 -1.00 8900.0 !2007SEN/MIL3740-3747 NC4H5+C6H6=C10H10+H 1.00E+12 0.00 10000.0 ! ! C2H3+C4H4=C6H6+H 1.39E+16 -1.00 8900.0 ! NC4H5=C4H4+H 1.00E+14 0.0 40000.0 !MM (????) C4H4+O=HCCO+C2H3 1.00E+13 0.0 0.0 !PITZ2001 !!!!C4H4+OH=NC4H3+H2O 1.00E+13 0.0 5675.00 !! C4H4+OH=CH2CO+C2H3 3.00E+13 0.0 0.0 !MM !!!!C4H4+H=NC4H3+H2 5.00E+13 0.0 14130.00 !Literature review 1988GHI/COL5839 + Milano ! WJP: reverse rate above collisional for T<1800K. Remove: !C4H4+CH3=C3H4-P+C2H3 1.00E+13 0.0 6000.0 !MM C4H4+C2H2=C6H6 4.47E+11 0.0 3.00E+04 !1986CHA/HEI701 CXCCXCCOH+H=C4H6+CH2OH 2.50E+34 -6.12 16250.0 !ALZUETA19982000 ! WJP: Reverse rate above collisonal. Make reaction one way. Reaction occurs in 2 steps: C2H3CHCHO+HO2=>C2H3CHO+HCO+OH 3.50E+12 0.00 -1000.0 !PITZ2001 C2H3CHCHO+HO2=HCOHCO+C2H3+OH 3.50E+12 0.00 -1000.0 !PITZ2001 C2H3CHCHO=>C3H5-A+CO 2.93E12 0.29 4.03E04 !WJP: analogy with ch2cho=ch3+co http://kinetics.nist.gov/kinetics/Detail?id=2006SEN/KLI5772-5781:2 !C2H3CHCHO=C3H5-A+CO 6.10E+05 0.92 -1120.0 !ALZUETA19982000 !WJP: Products not probable: !C2H3CHCHO=C3H4-A+HCO 6.10E+05 0.92 -1120.0 !ALZUETA19982000 C2H3CHCHO+O2=C2H3CHO+OCHO 1.20E+36 -7.25 33600.0 !ALZUETA19982000 C2H2+HCCO=CJXCCXCXO 3.16E+11 0.0 6000.0 !PITZ2001 CXOCCCJCXO+O2=CXOCCCXO+OCHO 6.29E+05 1.65 17480.0 !PITZ2001 OXCCXCCXCJ=C2H2+CJXCCXO 3.00E+13 0.0 43710.0 !PITZ2001 OXCCXCCXCJ=OXCJCXCCXC 1.25E+10 0.00 2.085E+04 !ANALOGy with NC7 !!MM OXCCXCCXCJ+O2=OXCCXCCXO+HCO 5.42E+12 0.0 0.0 !PITZ2001 OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO 2.78E+08 -0.07 13940.0 !PITZ2001 OXCCXCCJCXO+O2=OXCCXCCXO+OCHO 1.62E+09 -0.03 18800.0 !PITZ2001 OXCCXCCJCXO+H=CXOCXCCJ+HCO 2.18E+58 -12.39 33110.0 !PITZ2001 OXCJCXCCCXO+O2=CXOCCJCXO+CO2 1.00E+30 -5.43 16210.0 !PITZ2001 OXCJCXCCCXO+O2=CYC4H5O21+CO2 1.90E+36 -7.7 13760.0 !PITZ2001 OXCJCXCCCXO+O2=CXCCCO2J+CO2 2.24E+11 -1.07 8880.0 !PITZ2001 CXOCCXCJ+CO=OXCJCXCCCXO 1.50E+11 0.00 4800.0 !PITZ2001 OXCJCXCCCXO+O=CXOCCXCJ+CO2 1.50E+14 0.0 0.0 !PITZ2001 OXCJCXCCXC=NC4H5+CO 3.47E12 0.63 27210.0 !2008HUY/VIO94-101 ! WJP: remove reactions. These were just "trys": !OXCJCXCCXC+O=NC4H5+CO2 1.00E+10 0.0 0.0 !PITZ2001 ! WJP: reverse rate exceeds collisional. Remove the rxn that was a "try": !OXCJCXCCXC+H=NC4H5+HCO 1.00E+12 0.0 0.0 !PITZ2001 OXCCXCCXO+H=OXCCXCCJXO+H2 2.64E+13 0.00 3300.0 !PITZ2001 OXCCXCCXO+O=OXCCXCCJXO+OH 1.19E+13 0.00 1868.0 !PITZ2001 OXCCXCCXO+OH=OXCCXCCJXO+H2O 1.85E+07 1.5 -960.0 !PITZ2001 OXCCXCCXO+CH3=OXCCXCCJXO+CH4 5.22E+06 1.78 5911.0 !PITZ2001 OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 6.02E+12 0.00 11930.0 !PITZ2001 OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H 6.02E+12 0.00 11930.0 !PITZ2001 CJXCCXO+CO=OXCCXCCJXO 1.51E+11 0.0 4810.0 !PITZ2001 CXOCXCCJ+O2=CH2O+CXOCJCXO 7.18E+49 -11.41 39820.0 !PITZ2001 CXOCXCCJ+O=HCO+C2H3CHO 1.00E+14 0.0 0.0 !PITZ2001 CXCCCO2J=C3H5-A+CO2 1.00E+13 0.0 6000.0 !PITZ2001 CXOCCJCXO+O2=CXOCCXO + OCHO 6.29E+05 1.65 17480.0 !PITZ2001 CXOCCJCXO=C2H3CHO+HCO 1.44E+34 -6.77 33260.0 !PITZ2001 CXOCCJCXO=CYC4H5O21 3.34E+05 1.41 36780.0 !PITZ2001 CXOCCCXO+H=H2+CXOCCCJXO 2.29E+10 1.05 3279.0 !PITZ2001 CXOCCCXO+OH=H2O+CXOCCCJXO 3.49E+09 1.18 -447.0 !PITZ2001 CXOCCCJXO+O2=C2H4+DHCO2J 1.61E+45 -9.92 20670.0 !PITZ2001 CH2CH2CHO+CO=CXOCCCJXO 1.50E+11 0.00 4800.0 !PITZ2001 CXOCCXCJ+O2=C2H3CHO+OCHO 1.47E+03 2.25 650.0 !PITZ2001 CXOCCXCJ+O2=CXOCCXO+HCO 5.42E+12 0.0 0.0 !PITZ2001 CXCCXCXO+OH=CJXCCXCXO+H2O 2.02E+13 0.0 5933.0 !PITZ2001 CXCCXCXO+C6H5=CJXCCXCXO+C6H6 2.02E+13 0.0 8933.0 !PROVA CXCCXCXO+O=C2H3CHO+CO .32E+14 -0.34 4674.0 !PROVA CXCCXCXO+H=CXCCCJXO 1.69E+07 1.03 -550.0 !PITZ2001 CXCCXCXO+H=C3H5-A+CO 6.60E+13 -0.02 2740.0 !PITZ2001 CXCCCJXO=CO+C3H5-A 6.12E+05 0.92 -1120.0 !PITZ2001 ! ! CXOCCXO+O=CH2CHO+OCHO 6.00E+12 0.0 0.0 !PITZ2001 ! ! WJP 2009-09-25 removed duplicate rxns: !CXOCCXO+OH=H2O+CH2CO+HCO 1.720E+05 2.400 8.150E+02 !CXOCCXO+H=H2+CH2CO+HCO 2.370E+13 0.000 3.642E+03 !CXOCCXO+HO2=H2O2+CH2CO+HCO 3.010E+12 0.000 1.192E+04 !CXOCCXO+O2=HO2+CH2CO+HCO 3.010E+13 0.000 3.915E+04 ! ! CXOCCXO+OH=>H2O+CH2CO+HCO 2.764E+04 2.640 -1.919E+03 !WJP: Rxn occurs in 2 steps => make one direction only. CXOCCXO+H=>H2+CH2CO+HCO 3.376E+05 2.360 2.070E+02 !WJP: Rxn occurs in 2 steps => make one direction only. CXOCCXO+HO2=>H2O2+CH2CO+HCO 4.820E+03 2.550 1.053E+04 !WJP: Rxn occurs in 2 steps => make one direction only. CXOCCXO+O2=>HO2+CH2CO+HCO 2.000E+13 0.000 3.719E+04 !WJP: Reverse rate exceeds collional. Rxn occurs in 2 steps => make one direction only. ! ! CXOCJCXO+O2=HCOHCO+OCHO 4.12E+13 -0.46 21710.0 !PITZ2001 ! ! CJXCCXO=C2H3CO 1.40E+09 0.98 32100.0 !PITZ2001 C2H2+HCO=CJXCCXO 7.77E+06 1.41 7755.0 !PITZ2001 CJXCCXO+O2=HCOHCO+HCO 5.42E+12 0.0 0.0 !PITZ2001 C3H5-A+OH=C3H4-A+H2O 6.03E+12 0.0 0.0 !PITZ2001 DHCO2J=CO2+OCHO 3.00E+13 0.0 4000.0 !PITZ2001 CXOCJOH+O2=OCHO+HOCHO 2.82E+22 -3.68 11660.0 !PITZ2001 !WJP: Reverse rate from thermo exceeds collisional. => specify reverse rate. !HCOHCO=HCO+HCO 9.01E+14 0.0 64100.0 !PITZ2001 HCO+HCO=HCOHCO 6.0e12 0.0 -1000.0 !WJP: estimate based on http://kinetics.nist.gov/kinetics/Detail?id=1985STO/SCH135:1. !WJP: reverse rate above collisional: ! keep rates in both directions until thermo is checked: !HCOHCO+O2=HO2+HCOCJXO 6.03E+13 0.0 39900.0 !PITZ2001 HCOHCO+O2<=>HO2+HCOCJXO 8.07E+15 0.0 5.342E+04 !WJP: analogy with CH2O+O2=HCO+HO2 REV/ 2.50E+14 -0.061 13920.0 / HCOHCO+OH=H2O+HCOCJXO 3.43E+09 1.18 -447.0 !PITZ2001 HCOHCO+O=OH+HCOCJXO 4.16E+11 0.57 2762.0 !PITZ2001 HCOHCO+H=H2+HCOCJXO 2.29E+10 1.05 3279.0 !PITZ2001 HCOCJXO+O2=OCHO+CO2 7.27E+25 -3.97 6890.0 !PITZ2001 HCOCJXO=CO+HCO 4.20E+12 0.0 10800.0 !PITZ2001 OCHO+O=OH+CO2 6.00E+12 0.0 0.0 !PITZ2001 OCHO+OH=H2O+CO2 6.00E+12 0.0 0.0 !PITZ2001 ! Duplicate reaction with OCHO+M<=>H+CO2+M 5.318E+14 -0.353 1.758E+04 !OCHO=CO2+H 1.75E+12 0.307 32920.0 !PITZ2001 C3H3+C3H3=C6H5+H 3.67E+26 -3.88 28960.0 !PITZ2001 C3H3+C3H3=FULVENE 1.26E+56 -12.61 23520.0 !PITZ2001 !!!!C3H3+C3H3=CXCC(C#C)XC 1.48E+55 -12.30 23620.0 !PITZ2001 C3H3+C3H3=C6H6 3.89E+50 -11.01 20320.0 !PITZ2001 ! ! ! ! CYC5H8+H=CYC5H9 4.11E+47 -11.49 8490.0 !PITZ2001 CYC5H8+H=C3H5-A+C2H4 1.28E+27 -4.07 11800.0 !PITZ2001 CYC5H8=CYC5H7U1+H 5.00E+15 0.0 84170.0 !PITZ2001 CYC5H7U1+H2=CYC5H8+H 1.08E+05 2.38 19000.0 !PITZ2001 CYC5H7U1+O2=CXOCCCJCXO 8.00E+24 -3.8 20000.0 !PITZ2001 CYC5H7U1=CXCCXCCJ 3.20E+15 0.0 39500.0 !ALZUETA19982000 ! ! ! ! CYC5H5OH+HO2=H2O2+CYC5H4OH 3.61E+03 2.55 10531.0 !PITZ2001 CYC5H5OH+HO2=H2O2+CYC5H5OJ 1.00E+13 0.0 15800.0 !PITZ2001 CYC5H5OH+OH=H2O+CYC5H4OH 5.48E+12 0.0 1731.0 !PITZ2001 CYC5H5OH+OH=H2O+CYC5H5OJ 1.00E+13 0.0 1697.0 !PITZ2001 CYC5H5OH+O=OH+CYC5H4OH 4.17E+11 0.0 0.0 !PITZ2001 CYC5H5OH+O=OH+CYC5H5OJ 1.00E+13 0.0 4683.0 !PITZ2001 CYC5H5OH+H=H2+CYC5H4OH 3.15E+12 0.0 0.0 !PITZ2001 CYC5H5OH+H=H2+CYC5H5OJ 4.00E+13 0.0 6094.0 !PITZ2001 CYC5H4OH=CYPDONE+H 1.00E+13 0.0 47450.0 !PITZ2001 CYC5H5OJ=NC4H5+CO 1.07E+79 -19.62 66250.0 !PITZ2001 CYC5H5OJ=OXCCXCCXCJ 3.00E+13 0.0 33000.0 !emdee - Butler !!??? CYC5H5OJ=CYPDONE+H 1.000E+14 0.00 3.500E+04 !!! 1.000E+14 0.00 2.910E+04 !!C3H5O=C2H3CHO !!!!!!2.94E+32 -6.5 21220.0 !PITZ2001 !!!!!!!CHECK!!! !!!!!!!!C5H5O1_1=CYPDONE+H 2.94E+32 -6.5 21220.0 !PITZ2001 ! ! ! !RECOMBINATION REACTIONS C6H5CH2J+IC4H7=CR1 1.00E+13 0.0 0.0 !RECOMB. CR1+H=CR2+H2 3.16E+12 0.00 0.0 !EQUAL TO C14H14+H CR1+OH=CR2+H2O 7.00E+10 1.00 -1100.0 !EQUAL TO C14H14+OH CR1+O=CR2+OH 8.40E+11 0.00 -2000.0 !EQUAL TO C14H14+O STYR+C3H5-T=CR2 1.00E+13 0.0 0.0 !RECOMB. !DISPLACEMENT REACTIONS OF PHENYL RADICAL WITH ALKENE NC4H5+C4H4=STYR+H 2.168E+12 0.0 5007.1 !MM_TSANG1991 CY13PD5J+C3H3=C6H5C2H2+H 2.500E+12 0.0 6200. !2001LIN/MAU409-432 /2 !!!C6H5+C2H4=C6H5C2H4P 2.168E+12 0.0 7000.0 ! C6H5+C3H6=CR3+H 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+C3H6=STYR+CH3 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+C3H6=CR4+H 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+IC4H8=CR3+CH3 2.168E+12 0.0 5007.1 !TSANG1991 C6H5+IC4H8=CR5+H 2.168E+12 0.0 7000.0 !TSANG1991 C6H5+C4H6=C10H10+H 1.000E+12 0.0 7000.0 !TSANG1991 CH3+C6H5C2H2=CR3 1.00E+13 0.0 0.0 !RECOMB. C6H5C2H+C2H3=NAPH+H 2.168E+12 0.0 5007.1 C6H5C2H2+CY13PD=STYR+CY13PD5J 1.20E-01 4.0 0.0 !PITZ2001 C6H5C2H2+H=STYR 1.00E+14 0.0 0.0 !RECOMB. C6H5CH2J+C2H3=CR4 1.00E+13 0.0 0.0 !RECOMB. C6H5CH2J+C3H5-T=CR5 1.00E+13 0.0 0.0 !RECOMB. C6H5C2H2+O2=C6H5CJO+CH2O 4.50E+16 -1.39 1000.0 !BOUNACEUR2005 C6H5C2H2+C2H2=NAPH+H 2.168E+12 0.0 7000.0 ! ! ! C6H5CH2J+C3H4-A=C6H5CH3+C3H3 2.00E+12 0.00 12000.0 ! ! ! C10H10+OH=C6H5OH+NC4H5 1.00E+13 0.00 0.0 C10H9+H=C10H10 5.00E+13 0.00 0.0 !MM C10H10+OH=C10H9+H2O 5.00E+06 2.00 0.0 !BATTIN-LECLERC2006 C10H10+H=C10H9+H2 2.00E+05 2.50 2500.0 !BATTIN-LECLERC2006 C10H10+O=C10H9+OH 7.00E+11 0.70 6000.0 !BATTIN-LECLERC2006 NAPH+H=C10H9 5.00E+14 0.00 5000.0 !BATTIN-LECLERC2006 ! ! ! ! !BENZENE ! !BENZENE & FULVENE ! C6H6=C6H5+H 5.50E+38 -6.18 132000.0 ! !ABSTRACTIONS ! C6H6+O2=C6H5+HO2 6.31E+13 0.0 60832.0 !PITZ2001 67832.0 ( 1971ASA/FUJ1-12 suggests 60000) C6H6+H=C6H5+H2 6.00E+13 0.0 12000.0 !MM PITZ2001 2.00E+13 0.0 18600.0 C6H6+HO2=C6H5+H2O2 7.50E+03 2.5 27619.0 !PITZ2001 C6H6+O=C6H5+OH .1624E+08 2.0 8781.96 !!!! FROM MILANO 8.00E+13 0.00 12700.0 ! C6H6+OH=C6H5+H2O 23.37E+03 2.68 730.0 ! 23.37E+03 2.68 730.0 ! 1.63E+08 1.42 1451.0 !PITZ2001 C6H6+CH3=C6H5+CH4 1.700E+00 3.7 9500.0 !Pitz est based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 ! ! !ADDITIONS ! C6H6+H=LINC6H7 1.22E+22 -1.87 31200.0 !PITZ2001 ! ! C6H6+O=C6H5OJ+H 2.48E+14 -0.34 4674.0!!!.4E+14 .00 4910.00 !!!!!!!!!!!!!!!!!!!ESPERIMENTO C6H6+O=C6H5OH .5102E+14 -0.34 4674.0 !C6H6+O=CY13PD+CO .32E+14 -0.34 4674.0 ! ! ! ! C6H6+H=FULVENE+H 8.43E+32 -4.95 51244.0 C6H6+OH=C6H5OH+H 80.00 3.25 5590 !!!!!!!130.00 3.25 5590 !!!!2006SET/NAK5081-5090 ! ! !C6H5+O2 ! !!C6H5+O2=C6H5O2 5.67E+132 -35.91 53659.0 !PITZ2001 C6H5+O2=C6H5O2 1.00E+13 0.00 0.0 C6H5O2+C6H5=C6H5OJ+C6H5OJ 1.00E+13 0.00 0.0 !MM C6H5+O2=YOC6JDO 5.14E+39 -8.05 28271.0 !!!!!!MM P!REVIOUS 5.14E+39 -8.05 28271.0 ! C6H5+O2=C6H5OJ+O 8.21E+41 -7.74 27770.0 ! 8.21E+41 -7.74 27770.0 ! ! C6H5+O2=OC6H4O+H 3.0E13 0.0 9.0E3 !NANCY ! ! !C6H5 ABS ! C6H5+HO2=C6H5OJ+OH 3.00E+13 0.0 0.0 !PITZ2001 ! ! C6H5OJ+O=OC6H4O+H 2E+14 .00 0.00 ! ! ! ! C6H5O2=C6H5OJ+O 7.51E+67 -15.72 73699.0 !PITZ2001 C6JYOO=C6H5O2 5.49E+80 -19.18 75390.0 !PITZ2001 C6JYOO=YOC6JDO 1.51E+80 -19.21 75405.0 !PITZ2001 ! ! ! CXCC(C#C)XC=FULVENE 4.90E+26 -4.14 65420.0 !PITZ2001 CXCC(C#C)XC=C6H6 2.82E+51 -10.68 107000.0 !PITZ2001 CXCC(C#C)XC=C6H5+H 3.09E+43 -7.93 118700.0 !PITZ2001 FULVENE=C6H6 2.95E+31 -4.97 88470.0 !PITZ2001 FULVENE=C6H5+H 8.51E+24 -2.51 113300.0 !PITZ2001 FULVENE+H=FULVENYL+H2 3.03E+02 3.3 5690.0 !PITZ2001 FULVENE+OH=FULVENYL+H2O 1.63E+08 1.42 1454.0 !PITZ2001 FULVENYL+H=C6H5+H 1.00E+14 0.0 0.0 !PITZ2001 FULVENYL+O2=CYPDONE+HCO 1.00E+12 0.0 0.0 !PITZ2001 ! !ricomb ! C6H5+C6H5=C12H10 2.00E+19 -2.10 2900.0 !BOUNACEUR2005 C6H5+C6H6=C12H10+H 3.98E+11 0.00 3993.7 !FAHR1988 ! !XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX !C6H5OH !XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX ! !MOLECULAR DECOMPOSITION ! !C6H5OH=CY13PD+CO 8.62E+15 -0.61 74120.0 !!!!MM 2006XU/LIN1672-1677 ! !ABSTRACTIONS ! C6H5OH+O2=C6H5OJ+HO2 3.00E+13 0.00 37000.0 !ALZUETA19982000 *3 C6H5OH+H=C6H5OJ+H2 1.20E+14 0.00 12400.0 !ALZUETA19982000 1.20E+14 0.00 12400.0 !ALZUETA19982000 C6H5OH+O=C6H5OJ+OH 1.30E+13 0.00 5000.0 !ALZUETA19982000 1.30E+13 0.00 2900.0 !ALZUETA19982000 C6H5OH+OH=C6H5OJ+H2O 3.00E+06 2.00 -1310.0 !ALZUETA19982000 C6H5OH+HO2=C6H5OJ+H2O2 1.00E+12 0.00 8000.0 !ALZUETA19982000 !!!! C6H5OH+CH3=C6H5OJ+CH4 1.81E+11 0.00 9010.0 !MM C6H5OH+C2H3=C6H5OJ+C2H4 6.00E+12 0.00 0.0 !ALZUETA19982000 C6H5OH+NC4H5=C6H5OJ+C4H6 6.00E+12 0.00 0.0 !ALZUETA19982000 C6H5OH+C6H5=C6H5OJ+C6H6 4.90E+12 0.00 4400.0 !ALZUETA19982000 ! ! ! ! C6H5OH+H=C6H4OH+H2 1.899E+07 2.0 9696.0 !ELLIS2003 C6H5OH+O=C6H4OH+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 C6H5OH+OH=C6H4OH+H2O 23.37E+03 2.68 730.0 !Like Benzene C6H5OH+CH3=C6H4OH+CH4 1.700E+00 3.7 9500.0 !Pitz est based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 4.37E-04 5.00 12300.0 !Sivaramakrishnan 2006 C6H5OH+HO2=C6H4OH+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 ! ! C6H4OH+O2=OC6H4O+OH 3.00E+29 -4.72 15600 !!COME DA SILVA 7.27E+29 -4.72 15600 ! ! ! !C6H5OH+O=RODC6JDO+H 2.48E+14 -0.34 4674.0 !WJP: Reverse from thermo exceeds collisonal by 1.e11 times at 300K. Unalble to find source of rate constant:. !C6H5OH+O=RODC6JDO+H .8E+14 .00 4910.00 !!!REV/ 1.00E+14 0.0 0.0 / !C6H5OH+O=CYC5H5OH+CO 1.5E+14 .00 4500.00 ! ! ! !REACTION OF THE C6H5OJ ! C6H5OJ+C6H5CH3=C6H5OH+C6H5CH2J 1.60E+12 0.0 15100.0 !MM in analogy to C6H5CH3+C3H5-A ! ! C6H5OJ=CY13PD5J+CO 1.40E+11 0.00 43900.0 !ALZUETA19982000!!!! 2.40E+11 0.00 43900.0 ! !!C6H5OJ=CY13PD5J+CO 4.00E+11 0.00 43900.0 !ALZUETA19982000!!!! C6H5OJ=CJCXCC#C+CO 1.0E+13 0.00 63000.0 !!!!!TEST 23 SEP ! ! C6H5OJ+H=C6H5OH 2.50E+14 0.00 0.0 !MM !!!!!C6H5OJ+O=CY13PD5J+CO2 1.00E+13 0.00 0.0 !ALZUETA19982000 ! C6H5OJ+HO2=RODC6JDO+OH 5.00E+12 0.00 0.0 C6H5OJ+CH3O2=RODC6JDO+CH3O 2.00E+12 0.00 0.0 !!!! RODC6JDO=OC6H4O+H 1.000E+14 0.000 2.910E+04 !!LIKE C3H5O=CH2CHCHO ! !REACTION OF THE OC6H4O ! ! OC6H4O=CYPDONE+CO 3.70E+11 0.00 59000.0 !ALZUETA19982000 !!!!!!!!!OC6H4O=C5H4+CO2 3.50E+12 0.00 67000.0 !ALZUETA19982000 NOT CONFIRMED C5H4=CYCLOPENTADIENYLIDE RADICAL !OC6H4O+H=C5H5O1_1+CO 2.50E+13 0.00 4700.0 !ALZUETA19982000 C5H5O=C5H5O1_1 IN TERMS OF PITZ MODEL !OC6H4O+H=>CO+C2H3CO+C2H2 2.00E+12 0.00 8100.0 !ALZUETA19982000 H ATOM ABSTRACTION REACTION IN AROMATIC H !NET ! ! OC6H4O+H=>CO+C2H3CO+C2H2 2.50E+13 0.00 4700.0 ! ! OC6H4O+O=>CO+HCCO+C2H3CO 2.48E+14 -0.34 4674.0 !OC6H4O+O=>CO+HCCO+C2H3CO .8E+14 .00 4910.00 !!ALZUETA19982000 SIMILAR C6H6+O=C6H5O(PHENOXY RADICAL)+H !NET !OC6H4O+O=>CO+HCCO+C2H3CO 1.50E+13 0.00 4530.0 !ALZUETA19982000 SIMILAR C6H6+O=C6H5O(PHENOXY RADICAL)+H !NET dup OC6H4O+O=>CO+HCCO+C2H3CO 1.40E+13 0.00 14700.0 !ALZUETA19982000 !NET dup OC6H4O+OH=>HCO+C2H3CO+HCCO 1.00E+06 2.00 4000.0 !ALZUETA19982000 NEED ADDITION REACTION FOR LOW TEMP ! ! C5H4+H=C5H3+H2 1.00E+06 2.50 5000.0 !ALZUETA19982000 C5H4+O=C5H3+OH 1.00E+06 2.50 3000.0 !ALZUETA19982000 C5H4+OH=C5H3+H2O 1.00E+06 2.00 0.0 !ALZUETA19982000 C5H3+H=C5H4 1.00E+14 0.00 0.0 !ALZUETA19982000 C5H3+O2=C2H2+HCCO+CO 1.00E+12 0.00 0.0 !ALZUETA19982000 ! WJP: Not sure of structure of LC6H5. Remove it: !C6H5=LC6H5 2.11E+12 0.0 59750.0 !SAKAI et al. 2007 ! WJP: Reverse rate from thermo is above collisional by 1.e10 times. Not sure of structure of LC6H5. Remove it: !LC6H5=NC4H3+C2H2 5.00E+14 0.0 38000.0 !SAKAI et al. 2007 C6H5(+M)=C6H4+H(+M) 4.30E+12 0.6 77300.0 LOW / 1.00E+84 -18.87 90100.0/ TROE/ 0.902 696.0 358.0 3856.0/ C4H2+C2H2=C6H4 1.40E+07 1.40 25410.0 C2H+C2H2=C4H2+H 1.94e13 0.238 -73.5 !Eiteneer&Frenklach IJCK2003 !YOC6JDO=RODC6JDO 3.99E+40 -8.44 37964.0 !PITZ2001 3.99E+40 -8.44 37964.0 YOC6JDO=RODC6JDO 1.0E+13 0.0 24000 C6H5+OH=C6H5OH 3.00E+13 0.0 0.0 !C6H5+O=C6H5OJ 1.00E+14 0.0 0.0 C6H5+O=CJCXCC#C+CO 1.00E+14 0.0 0.0 CYC6H7+O2=C6H6+HO2 7.90E+11 0.00 9900.0 !BOUNACEUR2005 CYC6H7+H=C6H6+H2 3.30E+12 0.00 0.0 !BOUNACEUR2005 CYC6H7+OH=C6H6+H2O 1.00E+13 0.00 0.0 !BOUNACEUR2005 OXCCXCCXCJ+CO=RODC6JDO 1.51E+11 0.0 4810.0 !PITZ2001 1.51E+11 0.0 4810.0 CYPDONE+HCO=RODC6JDO 4.00E+11 0.0 4100.0 ! C6H5+C2H5=C6H5C2H5 1.00E+14 0.0 0.0 !RECOMB. C6H5CH2J+CY13PD=CY13PD5J+C6H5CH3 7.900E+10 0.00 1.240E+04 !!!!!!!MM Analogy with allyl + C4H8 --> C3H6 + allyl 2.50E+11 0.0 5000.0 ! ! ! !XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX !TOLUENE !INITIATION (OMOLITIC) ! C6H5CH3=C6H5+CH3 2.660E+16 0.00 97830.4 !!!!! 4.62E25 -2.53 1.04E+05 !!!! 2006SIV/TRA9388-9399 REV/ 1.5e13 0.0 0.0 / !WJP: Estimate based on Tokmakov et al. J. Phys. Chem. A 1999. Reverse rate from thermo exceeds collosional rate. C6H5CH3=C6H5CH2J+H 2.090E+15 0.00 87463.4 !OEHLSCHLAEGER CI 2007V1.5BAR Measured 1.000E+16 0.00 91400.0 !MM !REVIEW NIST P!REVIOUSLY 2.090E+15 0.00 87463.4 !OEHLSCHLAEGER CI 2007V1.5BAR Measured C6H4CH3+H=C6H5CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 ! ! !SUBSTITUTIONS ! C6H5CH3+H=C6H6+CH3 0.700E+06 2.00 943.0 ! 1.300E+06 2.00 943.0 ELLIS2003 !!!ELLISV Scott and WalkerV 2003 !!!C6H5CH3+OH=C6H5OH+CH3 23.490E+02 2.884 3219.3 ! 7.830E+02 2.884 3219.3SetaV NakajimaVMiyoshi JPCA 2006 x3 C6H5OH+CH3=C6H5CH3+OH 1.00E+12 0.00 15000.0 !!! ! ! !C6H5OH+CH3=C6H5CH3+OH 1.00E+12 .00 15000.00 ! C6H5CH3+OH=HOC6H4CH3+H 80.00 3.25 5590 !!!!!!!SIMILAR TO C6H6+OH ! !ABSTRACTIONS --> BENZYL ! ! C6H5CH3+O2=C6H5CH2J+HO2 2.180E+07 2.50 46045.0 !!!!MM !OEHLSCHLAEGERV CI 2007 2.180E+07 2.50 46045.0 C6H5CH3+H=C6H5CH2J+H2 6.470E+00 3.98 3384.0 !OEHLSCHLAEGER et al. JPCA 2006 C6H5CH3+O=C6H5CH2J+OH 6.00E+10 0.7 7632.0 !PITZ et al. 2001 (analogy with c3h6+o) era 6e10 C6H5CH3+OH=C6H5CH2J+H2O 1.770E+05 2.394 -601.8 !!!6.45E+06 2.00 477.0 !!!!MM 1990KNI/KOC1375 P!REVIOUSLY 1.770E+05 2.394 -601.8 SetaV NakajimaVMiyoshi JPCA 2006 C6H5CH3+HO2=C6H5CH2J+H2O2 7.00E+02 3.00 12000.0 !7.00E+02 !MM ORIGINALLY 1.02E+04 2.50 12339.3 PITZ2001 from Scott and WalkerV CF2002 C6H5CH3+CH3O2=C6H5CH2J+CH3O2H 1.02E+04 2.50 12339.3 !PITZ2001V analogy with toluene+ho2 C6H5CH3+CH3=C6H5CH2J+CH4 2.210E+00 3.50 5.675E+03 !MM MODIFIED ACCORDING TO C3H6+CH3 P!REVIOUSLY 4.00E-05 5.60 9000 PITZ2001V analogy with propene+ch3 (TSANGV 1991) 2.210E+00 3.50 5.675E+03 C6H5CH3+CH3O=C6H5CH2J+CH3OH 2.12E+10 0.00 3000.0 !PITZ2001V secondary alkyl H abstractionV reduced Ea by difference between BD for secondary alkyl C6H5CH3+C2H3=C6H5CH2J+C2H4 2.21E+00 3.50 4680.0 !PITZ2001V analogy with propene+c2h3V300-2500K (TSANGV 1991) C6H5CH3+HCO=C6H5CH2J+CH2O 3.77E+13 0.00 23787.4 !TSTVSAKAI C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH 1.60E+11 0.00 11100.0 !BOUNACEUR2005 C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH 1.02E+03 2.50 12339.3 !EQUAL TO C6H5CH3+HO2V A-FACTOR/10 C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 7.94E+12 0.00 11949.0 !PITZ2001 C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 1.60E+11 0.00 15100.0 !BOUNACEUR2005 C6H5CH3+C6H5=C6H5CH2J+C6H6 7.94E+12 0.00 11949.0 !PITZ2001 ! ! ! !BENZYL OXYDATION ! ! C6H5CH2J=CY13PD5J+C2H2 1.000E+13 0.00 70000.0 !!!!!MM AGGIUNTO IL 8 SEP X DATI PYRO 5.000E+12 0.00 70000.0 C6H5CH2J=>C4H4+C3H3 2.000E+13 0.00 83600.0 !WJP: Reverse rate from thermo above collision rate. Neglect reverse rate. Should not be important. !!!!!!!C6H5CH2J=C3H4-A+NC4H3 4.500E+13 0.00 72500.0 C3H4-A+NC4H3=C6H5CH2J 1.00E+14 0.0 0.0 !cvn test ! C6H5CH2J+O2=C6H5CH2OOJ 1.382E+41 -9.44 9020.0 !MURAKAMI2007 C6H5CH2OOJ=C6H5CHO+OH 4.000E+76 -19.96 64725.0 !MURAKAMI2007 C6H5CH2OOJ=C6H5OJ+CH2O 1.700E+76 -19.96 64725.0 !MURAKAMI2007 C6H5CH2OOJ+H=C6H5CH2OOH 1.00E+14 0.00 0.0 !BOUNACEUR2005 C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 2.00E+11 0.00 0.0 !BOUNACEUR2005 C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 CORRECTED ACCORDING TO TC4H9O2+HO2 TO BE !REVISED!!! C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 TO BE !REVISED!!! 2C6H5CH2OOJ=>2C6H5CH2OJ+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 C6H5CH2OOH=C6H5CH2OJ+OH 1.00E+16 0.00 39000.0 !!!! 1.50E+16 0.00 42000.0 !Modified according to latest nc7 REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.) C6H5CH2J+OH=C6H5CH2OH 2.00E+13 0.00 0.0 !PITZ2001 C6H5CH2J+O=C6H5CHO+H 1.51E+13 0.00 0.0 !!!!!MM 1984BRE/LIT1053 P!REVIOUS 2.11E14 C6H5CH2J+O=C6H5+CH2O 1.19E+14 0.00 0.0 !!!!!MM P!REVIOUS 1.19E+14 C6H5CH2J+HO2=C6H5CH2OJ+OH 10.00E+12 0.00 0.0 !!!! !MM 0.5-->1.0 ORIGINAL REFERENCE FROM HIPPLER (confirmed by Bozzelli Symp2008) C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O 5.00E+12 0.00 0.0 !!!! !WJP: analogy toC6H5CH2J+HO2=C6H5CH2OJ+OH ! !!!!C6H5CH2J+HO2=OH+H+OC6H4CH2 5.00E+12 0.00 0.0 !!TEST ! !REACTIONS OF C6H5CH2OH ! ! C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.00 34000.0 C6H5CH2OH+O2=HO2+C6H5CH2OJ 2.00E+14 0.00 55400.0 !MM O2 ABSTRACTION ON ALKYL HYDROGEN OCCUR WITH AE>50000... OH SHOULD BE EVEN HIGHER! C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.67 1710.0 !PITZ2001 C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.00 -1100.0 C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.00 -1100.0 C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.00 8100.0 C6H5CH2OH+H=C6H5CHOH+H2 4.30E+00 3.98 3384.0 !!LIKE TOLUENE 2/3 !!!C6H5CH2OH+H=C6H5CH2OJ+H2 5.360E+04 2.530 4.405E+03 !LIKE C2H5OH+H C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.00 -2000.0 C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.00 3600.0 C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.00 -2000.0 C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.00 12000.0 C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.00 12000.0 C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.00 104069.0 !ESTIMATE FROM THERMCHEM C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.00 101225.0 !ESTIMATE FROM THERMCHEM C6H5CHOH=C6H5CHO+H 5.00E+13 0.00 42000.0 !!! OLD 2.00E+14 0.00 23300.0: Modifified in analogy to CH2O+H C6H5CHOH+O2=C6H5CHO+HO2 3.810E+06 2.00 1.641E+03 !MM THIS IS THE RATE ADOPTED FOR ETHANOLV RESULTS DON'T change C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.00 0.0 C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.18 -447.0 ! ! ! C6H5CH2OJ+O2=HO2+C6H5CHO 6.60E+10 0.00 2.200E+03 !!TSA CH3O+O2 ! C6H5CH2OJ=C6H5CHO+H 1.000E+14 0.00 2.910E+04 !!!MM 2003RAU/BOY431-442 C6H5CH2OJ=C6H5+CH2O 1.464E+20 -1.97 3.509E+04 !!!MM C6H5CH2OJ+H=C6H5CHO+H2 4.00E+13 0.0 0.00 C6H5CH2OJ+OH=C6H5CHO+H2O 2.00E+13 0.0 0.00 C6H5CH2OJ+HO2=C6H5CHO+H2O2 2.00E+13 0.0 0.00 C6H5CH2OJ+CH3=C6H5CHO+CH4 2.00E+13 0.0 0.00 C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3 1.00E+13 0.0 0.00 ! ! ! ! !BENZALDEHYDE ! C6H5+HCO=C6H5CHO 5.00E+12 0.00 0.0 !BOUNACEUR2005 C6H5CHO+OH=H2O+C6H5CJO 3.44E+09 1.18 -447.0 !PITZ2001 C6H5CHO+H=H2+C6H5CJO 7.470E+00 3.98 1384.0 !!!!LIKE TOLUENE 2000 BONUS ACYLIC PREV 2.28E+10 1.05 3279.0 !PITZ2001 C6H5CHO=C6H5CJO+H 4.00E+15 0.00 83700.0 !BOUNACEUR2005 C6H5CHO+O=C6H5CJO+OH 6.00E+12 0.00 1800.0 !BOUNACEUR2005 C6H5CHO+O2=C6H5CJO+HO2 7.00E+11 0.00 39500.0 !BOUNACEUR2005 C6H5CHO+HO2=C6H5CJO+H2O2 7.00E+02 3.00 10000.0 !Like toluene C6H5CHO+CH3=C6H5CJO+CH4 2.00E-06 5.60 1500.0 !BOUNACEUR2005 ! ! C6H5CHO+C6H5=C6H5CJO+C6H6 2.0E+1 3.51 3743.00 !!!NIST CH2O+C2H3 1.30E+11 0.00 11500.0 !BOUNACEUR2005 ! ! C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 1.60E+12 0.0 13100.0 !!!! 1.26E+08 1.9 18200.0 !!TSA !C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 2.8E+03 2.81 5773.00 !!!!MILANO (better agreement with 1991TSA221-273 CH2O+C3H5-A) 1.30E+11 0.00 11500.0 !BOUNACEUR2005 ! ! C6H5CJO=C6H5+CO 1.370E+21 -2.179 3.941E+04 !MM like c2h3co=c2h3+co 3.00E+12 0.00 34860.0 !PITZ2001 ! C6H5CJO+HO2=C6H5+CO2+OH 10.0E+12 0.0 0.0 !!TEST ! ! C6H5C2H4P+H=C6H5C2H5 3.61E13 0.0 83600.0 !Curran: primary radical rule C6H5C2H4S+H=C6H5C2H5 5.00E13 0.0 83600.0 !WJP: analagy to c4h71-3+h !C6H5C2H5=C6H5C2H4+H 4.30E+14 0.0 83600.0 !BOUNACEUR2005 C6H5C2H5+O2=C6H5C2H4P+HO2 2.100E+13 0.00 52800.0 !Curran: primary site rule C6H5C2H5+O2=C6H5C2H4S+HO2 2.200E+12 0.00 37220.0 !Mehl: secondary allylic rule !C6H5C2H5+O2=C6H5C2H4+HO2 3.63E+07 2.50 46045.0 !C6H5CH3+O2VA-FACTORX(5/3) C6H5C2H5+H=C6H5C2H4P+H2 6.650E+05 2.54 6756.0 !Mehl: primary rule for alkenes C6H5C2H5+H=C6H5C2H4S+H2 3.376E+05 2.36 207.0 !Mehl: secondary allylic rule !C6H5C2H5+H=C6H5C2H4+H2 1.08E+01 3.98 3384.0 !C6H5CH3+HVA-FACTORX(5/3) C6H5C2H5+H=C6H6+C2H5 9.5E+05 2.00 943.0 !C6H5CH3+HVA-FACTORX(5/3) C6H5C2H5+OH=C6H5C2H4P+H2O 5.27E+09 0.970 1590.0 !Curran: primary site rule C6H5C2H5+OH=C6H5C2H4S+H2O 2.764E+04 2.64 -1919.0 !Mehl: secondary allylic rule !C6H5C2H5+OH=C6H5C2H4+H2O 2.95E+05 2.394 -601.8 !C6H5CH3+OHVA-FACTORX(5/3) C6H5C2H5+O=C6H5C2H4P+OH 2.092E+06 2.424 4766.0 !Curran: primary site rule C6H5C2H5+O=C6H5C2H4S+OH 3.50e11 0.70 5882.0 !WJP: 2/3rds primary allylic !C6H5C2H5+O=C6H5C2H4+OH 1.00E+11 0.7 7632.0 !C6H5CH3+OVA-FACTORX(5/3)STYR+H=C6H5C2H4 1.081E+12 0.45 1822.0 !C2H4+H=C2H5 C6H5C2H5+CH3=C6H5C2H4P+CH4 9.04E-01 3.65 7154.0 !Curran: primary site rule C6H5C2H5+CH3=C6H5C2H4S+CH4 3.69E+00 3.31 4002.0 !Mehl: secondary allylic rule C6H5C2H5+HO2=C6H5C2H4P+H2O2 2.04E+01 3.59 17160.0 !Curran: primary site rule C6H5C2H5+HO2=C6H5C2H4S+H2O2 3.69E+00 3.31 4002.0 !Mehl: secondary allylic rule C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H 6.93E-01 3.97 18280.0 !Curran: primary site rule C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H 4.82E+03 2.55 10530.0 !Mehl: secondary allylic rule C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH 1.02E+03 2.50 19539.0 !WJP: Ea for allyl-s case + 7.2 kcal C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH 6.80E+02 2.50 12339.0 !WJP: C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH x 2/3 C6H5C2H5+C2H5=C6H5C2H4P+C2H6 5.00E+10 0.00 13400.0 !Curran: primary site rule C6H5C2H5+C2H5=C6H5C2H4S+C2H6 6.70E+10 0.00 9800.0 !WJP: c3h6+c2h5 x 2/3 C6H5C2H4P+O2=HO2+STYR 7.561E+14 -1.01 4749.0 !WJP: same as c2h5+o2 C6H5C2H4S+O2=HO2+STYR 7.561E+14 -1.01 4749.0 !WJP: same as c2h5+o2 C6H5C2H4P+HO2=OH+CH2O+C6H5CH2J 9.000E+12 0.000 -1.000E+03 !WJP: primary allyl radical + HO2 C6H5C2H4S+HO2=OH+CH3CHO+C6H5 9.64E+12 0.00 0.0 !WJP: Analogy with C6H111A3+HO2<=>C6H11O1A3+OH C6H5+C2H4=C6H5C2H4P 2.000E+11 0.00 7800.0 !WJP: same as c2h3+c2h4 !C6H5+C2H4=C6H5C2H4 1.00E+13 0.00 0.0 !RECOMB. STYR+H=C6H5C2H4S 4.240E+11 0.51 1230.0 !Curran 2006: addition to terminal C in propene STYR+H=C6H5C2H4P 2.500E+11 0.51 2620.0 !Curran 2006: addition to internal C in propene! !STYR+H=C6H5C2H4 1.081E+12 0.45 1822.0 !C2H4+H=C2H5 ! ! !OXIDATION OF C14H14 (di-benzyl) ! C14H14=C14H13+H 2.750E+15 0.00 86000. !DERIVED FROM OEHLSCHLAEGER2005 2.090E+15 0.00 87463.4 REV/ 5.000E+13 0.000 0.000E+00 / !WJP: Set rev. rate. Reverse rate from thermo exceeds collisional. C14H14+H=C14H13+H2 6.470E+00 3.98 3384.0 !OEHLSCHLAEGER2005 like toluene C14H14+O2=C14H13+HO2 2.80E+12 0.00 35000.0 !OEHLSCHLAEGER2005 REV/5.0e12 0.0 0.0/ !WJP: Reverse rate from thermo exceeds collisional => Set rev. rate C14H14+O=C14H13+OH 8.40E+11 0.00 -2000.0 !OEHLSCHLAEGER2005 C14H14+OH=C14H13+H2O 7.00E+09 1.00 -1100.0 !OEHLSCHLAEGER2005 C14H14+HO2=C14H13+H2O2 5.40E+11 0.00 12000.0 !OEHLSCHLAEGER2005 C14H14+CH3=C14H13+CH4 2.20E+12 0.00 9100.0 !OEHLSCHLAEGER2005 C14H14+C6H5CH2J=C14H13+C6H5CH3 2.20E+11 0.00 9100.0 !OEHLSCHLAEGER2005 C14H14+C6H5=C14H13+C6H6 1.06E+14 0.00 9949.0 !BOUNACEUR2005VTABLEV ESTIMATED AA C14H14+C6H5OJ=C14H13+C6H5OH 5.43E+12 0.00 20923.0 !BOUNACEUR2005VTABLEV ESTIMATED AA C14H13=STYLBEN+H 1.00E+13 0.00 38864.0 ! !!!!!!C14H13=C6H5C2H3+C6H5 7.90E+15 0.00 51864.0 !OEHLSCHLAEGER2005 STYR+C6H5=C14H13 2.0e11 0.0 7.8e3 !WJP: analogy to c2h4+c2h3 from Curran et al. ic8_46.mech C14H13+O2=C14H13OO 1.382E+41 -9.44 9020.0 !MM analogy to c6h5ch2j+o2 C14H13OO=STYLBEN+HO2 1.040E+38 -8.11 3.75E+04 !MM analogy to c6h111oo3 REV/ 2.50e11 0.51 2620.0/ !WJP: rev rate exceeds coll => set rate: analogy to c3h6+h ! !BENZYL DECOMPOSITION !WJP: Neglect reverse rate. Reverse rate from thermo >collisional. C6H5CH2J=>C7H6+H 8.77E+34 -5.8454 96390.0 !!MM BOZZELLI2008 GiVES SIMILAR VALUES!! Decomp to fulvenallene ! ! ! !ABSTRACTIONS --> PHENyL ! C6H5CH3+H=C6H4CH3+H2 1.899E+07 2.0 9696.0 !ELLIS2003 C6H5CH3+O=C6H4CH3+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 C6H5CH3+OH=C6H4CH3+H2O 23.37E+03 2.68 730.0 !Like Benzene C6H5CH3+CH3=C6H4CH3+CH4 1.700E+00 3.7 9500.0 !Pitz est based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 4.37E-04 5.00 12300.0 !Sivaramakrishnan 2006 C6H5CH3+HO2=C6H4CH3+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 ! ! ! ! ! !PHENYL OXYDATION ! C6H4CH3+O2=>O2C6H4CH3 1.0E+13 0.0 0.0 ! LIKE BENZENE O2C6H4CH3=>C6H4CH3+O2 6.36E19 -1.37 4.87E04 !TEST !C6H4CH3+O2=O2C6H4CH3 2.35E+160 -45.03 60240.0 !SILVA2007 C6H4CH3+O2=OC6H4CH3+O 7.27E+29 -4.72 15600.0 !SILVA2007 C6H4CH3+O2=OC6H4CH2+OH 4.35E+23 -3.36 8980.0 !SILVA2007 C6H4CH3+O2=RODC6J(C)DO 1.024E+25 -3.54 8780.0 !SILVA2007 ! O2C6H4CH3=>OC6H4CH3+O 1.64E+43 -8.82 50880.0 !SILVA2007!!!!!PROBLEMA THERMAL SEGATE!!!! OC6H4CH3+O=>O2C6H4CH3 2.00E+14 0.0 0.0 !! O2C6H4CH3=OC6H4CH2+OH 5.35E+43 -9.50 43440.0 !SILVA2007 O2C6H4CH3=RODC6J(C)DO 6.64E+46 -10.16 44320.0 !SILVA2007 ! OC6H4CH2=C6H6+CO 6.31E+14 0.0 67160.0 !DORRESTIJN1997 OC6H4CH3=H+C6H6+CO 7.6E+11 0.0 43800.0 !BOUNACEUR2005 OC6H4CH3+HO2=OC6H4O+CH3+OH 7.6E+11 0.0 43800.0 !BOUNACEUR2005 ! ! C6H4CH3+H=C6H5CH2J+H 1.0E+13 0.0 0.0 !BOUNACEUR2005 C6H4CH3+O=OC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 C6H4CH3+OH=HOC6H4CH3 3.0E+13 0.0 0.0 !BOUNACEUR2005 C6H4CH3+HO2=OC6H4CH3+OH 5.0E+12 0.0 0.0 !BOUNACEUR2005 !! OC6H4CH3+H=HOC6H4CH3 2.5E+14 0.0 0.0 !1E+14BOUNACEUR2005 !!!!MM Like Phenoxy+h ! HOC6H4CH3+O2=OC6H4CH3+HO2 1.0E+13 0.0 38900.0 !BOUNACEUR2 HOC6H4CH3+O2=HOC6H4CH2+HO2 2.1E+12 0.0 39700.0 !BOUNACEUR2 HOC6H4CH3+H=C6H5OH+CH3 5.8E+13 0.0 8100.0 !BOUNACEUR2005 HOC6H4CH3+H=OC6H4CH3+H2 1.2E+14 0.0 12400.0 !BOUNACEUR200 HOC6H4CH3+O=OC6H4CH3+OH 1.3E+13 0.0 2900.0 !BOUNACEUR200 HOC6H4CH3+OH=OC6H4CH3+H2O 1.4E+08 1.4 -960.0 !BOUNACEUR20 HOC6H4CH3+HO2=OC6H4CH3+H2O2 1.0E+12 0.0 10000.0 !BOUNACEUR2005 HOC6H4CH3+CH3=OC6H4CH3+CH4 1.8E+11 0.0 7700.0 !BOUNACEUR2 HOC6H4CH3+C6H5=OC6H4CH3+C6H6 4.9E+12 0.0 4400.0 !BOUNACEUR2005 HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD 4.9E+11 0.0 9400.0 !BOUNACEUR2005 HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH 4.9E+11 0.0 9400.0 !BOUNACEUR2005 HOC6H4CH3+H=HOC6H4CH2+H2 1.2E+14 0.0 8400.0 !BOUNACEUR2005 HOC6H4CH3+O=HOC6H4CH2+OH 6.3E+11 0.0 0.0 !BOUNACEUR2005 HOC6H4CH3+OH=HOC6H4CH2+H2O 5.2E+09 1.0 870.0 !BOUNACEUR2005 HOC6H4CH3+HO2=HOC6H4CH2+H2O2 4.0E+11 0.0 14000.0 !BOUNACEUR2005 HOC6H4CH3+CH3=HOC6H4CH2+CH4 1.6E+12 0.0 11100.0 !BOUNACEUR2005 HOC6H4CH3+C3H3=HOC6H4CH2+C3H4-P 1.6E+12 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 7.9E+13 0.0 12000.0 !BOUNACEUR2005 HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 7.9E+13 0.0 12000.0 !BOUNACEUR2005 HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 1.6E+11 0.0 15100.0 !BOUNACEUR2005 HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11 0.0 14000.0 !BOUNACEUR2005 HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.6E+11 0.0 11100.0 !BOUNACEUR2005 HOC6H4CH2+O2=HOC6H4CH2OO 4.6E+11 0.0 -380.0 !BOUNACEUR200 HOC6H4CH2+O2=HOC6H4CH2O+O 6.3E+12 0.0 40000.0 !BOUNACEUR20 HOC6H4CH2+H=HOC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 HOC6H4CH2+HO2=HOC6H4CH2OOH 5.0E+12 0.0 0.0 !BOUNACEUR2 HOC6H4CH2+CH3=C6H5OH+C2H4 5.0E+12 0.0 0.0 !BOUNACEUR20 HOC6H4CH2OO=HOC6H4CHO+OH 3.4E+09 1.0 37500.0 !BOUNACEUR200 HOC6H4CH2O=H+HOC6H4CHO 2.0E+13 0.0 27500.0 !BOUNACEUR2005 HOC6H4CH2O=C6H4OH+CH2O 2.0E+13 0.0 27500.0 !BOUNACEUR2005 HOC6H4CH2O+O2=HO2+HOC6H4CHO 6.0E+10 0.0 1600.0 !BOUNACEUR HOC6H4CHO+H=HOC6H4CO+H2 4.0E+13 0.0 3200.0 !BOUNACEUR200 HOC6H4CHO+O=HOC6H4CO+OH 6.0E+12 0.0 1800.0 !BOUNACEUR200 HOC6H4CHO+OH=HOC6H4CO+H2O 7.8E+12 0.0 0.0 !BOUNACEUR20 HOC6H4CHO+HO2=HOC6H4CO+H2O2 3.0E+12 0.0 11000.0 !BOUNACEUR HOC6H4CHO+CH3=HOC6H4CO+CH4 2.0E-06 5.6 1500.0 !BOUNACEUR2 HOC6H4CO=C6H5OJ+CO 4.0E+14 0.0 29500.0 !BOUNACEUR2005 ! ! ! ! !ADDITIONS ! C6H5CH3+O=OC6H4CH3+H 2.48E+14 -0.34 4674.0 !!! LIKE C6H6... 1.70E+13 0.00 4600.0 !BOUNACEUR2005 from TappeV Wagner et. al. 1989 MM +1000 ! ! ! ! ! !RECOMBINATIONS C6H5CH2J+CH3=C6H5C2H5 1.20E+13 0.00 200.0 !MM da 1990BRA/HIP6305 C6H4CH3+CH3=P-XYL 1.2E+06 1.96 -3700.0 !BOUNACEUR2005 C6H5CH2J+C6H5CH2J=C14H14 1.00E+13 0.00 454.0 !!!MM DA NIST P!REVIOUSLY 5.00E+12 0.00 454.0 ! ! ! C2H+CY13PD5J=C7H6 1.00E+13 0.00 0.0 !RECOMB. NC4H3+C3H3=C7H6 1.00E+13 0.00 0.0 !RECOMB. ! C14H13+HO2=C6H5CH2J+C6H5CHO+OH 1.920E+13 0.00 0.000E+00 !EQUAL TO C2H5+HO2 ! ! !XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX ! ! !STYR & STYLB ! STYR+O2=HO2+C6H5C2H2 2.00E+13 0.00 57900.0 !BOUNACEUR2005 STYR+O=C6H5+CH2CHO 3.00E+08 1.45 900.0 !BOUNACEUR2005 STYR+OH=C6H5CH2J+CH2O 1.40E+12 0.00 0.0 !BOUNACEUR2005 STYR+OH=C6H5CHO+CH3 2.80E+12 0.00 0.0 !BOUNACEUR2005 STYR+H=C6H5C2H2+H2 6.60E+05 2.53 9200.0 !BOUNACEUR2005 STYR+OH=C6H5C2H2+H2O 1.50E+06 2.00 400.0 !BOUNACEUR2005 ! ! C6H5+C2H2=C6H5C2H2 2.70E+06 2.05 3720.0 !!!!MM 2003TOK/LIN11397-11408 ! WJP:2009-09-25 duplicate reaction: !C6H5C2H2+CY13PD=STYR+CY13PD5J 1.20E-01 4.0 0.0 !!!!MM C6H6+C2H3=STYR+H 5.000E+12 0.000 7E+03 ! ! STYLBEN+O2=HO2+PHCCHPH 4.00E+13 0.00 58200.0 !EQUAL TO C2H4+O2=C2H3+HO2 STYLBEN+H=PHCCHPH+H2 8.42E-03 4.62 2583.0 !EQUAL TO C2H4+H=C2H3+H2 STYLBEN+OH=PHCCHPH+H2O 2.02E+13 0.00 5955.0 !EQUAL TO C2H4+OH=C2H3+H2O STYLBEN+O=C6H5CJO+C6H5CH2J 7.95E+03 1.66 657.4 PHCCHPH=PHENA+H 3.00E+13 0.0 28890.0 !!!1.074E+25 -2.217 88474.6 !!!!!!!CHECK PHCCHPH+O2=C6H5CJO+C6H5CHO 1.70E+29 -5.31 6500.0 !EQUAL TO C2H3+O2=CH2O+HCO OCCXCCXCJC+CO=RODC6J(C)DO 1.51E+11 0.0 4810.0 !EQUAL TO RODC6JDO !WJP: Neglect reverse rate. Reverse rate from thermo >collisional.: OCCXCCXCJC=>C2H2+HCO+C3H4-P 3.00E+13 0.0 43710.0 !EQUAL TO OXCCXCCXCJ OCCXCCXCJC=>C2H2+CO+C3H5-S 1.370E+21 -2.179 3.941E+04 !WJP: Isomer & decomp(rate control). Analogy to c2h3co=c2h3+co OCCXCCXCJC+O2=OXCCXCCXO+CH3CO 5.42E+12 0.0 0.0 !EQUAL TO OXCCXCCXCJ ! ! ! ! ! !XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX !p-Xylene !INITIATION (OMOLITIC) 2X ! !!!P-XYL=C6H4CH3+CH3 5.32E+16 0 97830.4 !!P-XYL=PXYLCH2J+H 4.18E+15 0 87463.4 PXYLCH2J+H=P-XYL 1.0E+14 0.0 0.0 MEC6H3CH3+H=P-XYL 1.0E+14 0.0 0.0 ! ! !SUBSTITUTIONS ! P-XYL+H=C6H5CH3+CH3 1.40E+06 2 943 ! ! !ABSTRACTIONS --> BENZYL ! ! P-XYL+O2=PXYLCH2J+HO2 4.36E+07 2.5 46045 P-XYL+H=PXYLCH2J+H2 1.29E+01 3.98 3384 P-XYL+O=PXYLCH2J+OH 1.20E+11 0.7 7632 P-XYL+OH=PXYLCH2J+H2O 3.54E+05 2.394 -601.8 P-XYL+HO2=PXYLCH2J+H2O2 1.40E+03 3 12000 P-XYL+CH3O2=PXYLCH2J+CH3O2H 2.04E+04 2.5 12339.3 P-XYL+CH3=PXYLCH2J+CH4 4.42E+00 3.5 5.68E+03 P-XYL+CH3O=PXYLCH2J+CH3OH 4.24E+10 0 3000 P-XYL+C2H3=PXYLCH2J+C2H4 4.42E+00 3.5 4680 P-XYL+HCO=PXYLCH2J+CH2O 7.54E+13 0 23787.4 P-XYL+C6H5CH2OJ=PXYLCH2J+C6H5CH2OH 3.20E+11 0 11100 P-XYL+C6H5CH2OOJ=PXYLCH2J+C6H5CH2OOH 2.04E+03 2.5 12339.3 P-XYL+C6H4CH3=PXYLCH2J+C6H5CH3 1.59E+13 0 11949 P-XYL+OC6H4CH3=PXYLCH2J+HOC6H4CH3 3.20E+11 0 15100 ! !CONTINUARE DA QUI ! !BENZYL OXYDATION ! ! PXYLCH2J=C6H6+C2H2+H 1.000E+13 0.00 70000.0 !!!!!MM AGGIUNTO IL 8 SEP X DATI PYRO 5.000E+12 0.00 70000.0 ! ! ! PXYLCH2J+O2=PXYLCH2OOJ 1.382E+41 -9.44 9020.0 !MURAKAMI2007 PXYLCH2OOJ=MEC6H4CHO+OH 4.000E+76 -19.96 64725.0 !MURAKAMI2007 PXYLCH2OOJ=OC6H4CH3+CH2O 1.700E+76 -19.96 64725.0 !MURAKAMI2007 ! ! PXYLCH2OOJ+H=PXYLCH2OOH 1.00E+14 0.00 0.0 !BOUNACEUR2005 PXYLCH2OOJ+HO2=PXYLCH2OOH+O2 2.00E+11 0.00 0.0 !BOUNACEUR2005 PXYLCH2OOJ+HO2=>MEC6H4CH2OJ+OH+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 CORRECTED ACCORDING TO TC4H9O2+HO2 TO BE !REVISED!!! PXYLCH2OOJ+CH3O2=>MEC6H4CH2OJ+CH3O+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 TO BE !REVISED!!! 2PXYLCH2OOJ=>2MEC6H4CH2OJ+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 !!!!!!!!!!!2PXYLCH2OOJ=>MEC6H4CH2OH+MEC6H4CH2OJ+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 PXYLCH2OOH=MEC6H4CH2OJ+OH 1.00E+16 0.00 39000.0 !!!! 1.50E+16 0.00 42000.0 !Modified according to latest nc7 REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.) PXYLCH2J+O=MEC6H4CH2OJ 2.00E+13 0.00 0.0 !PITZ2001 PXYLCH2J+O=MEC6H4CHO+H 1.51E+13 0.00 0.0 !!!!!MM 1984BRE/LIT1053 P!REVIOUS 2.11E14 PXYLCH2J+O=C6H4CH3+CH2O 1.19E+14 0.00 0.0 !!!!!MM P!REVIOUS 1.19E+14 PXYLCH2J+HO2=MEC6H4CH2OJ+OH 5.00E+12 0.00 0.0 !!!! !MM 0.5-->1.0 ORIGINAL REFERENCE FROM HIPPLER (confirmed by Bozzelli Symp2008) PXYLCH2J+CH3O2=MEC6H4CH2OJ+CH3O 5.00E+12 0.00 0.0 !!!! !WJP: analogy toPXYLCH2J+HO2=C6H5CH2OJ+OH ! ! !REACTIONS OF C6H5CH2OH ! ! !C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.00 34000.0 !C6H5CH2OH+O2=HO2+C6H5CH2OJ 2.00E+14 0.00 55400.0 !MM O2 ABSTRACTION ON ALKYL HYDROGEN OCCUR WITH AE>50000... OH SHOULD BE EVEN HIGHER! !C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.67 1710.0 !PITZ2001 !C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.00 -1100.0 !C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.00 -1100.0 !C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.00 8100.0 !C6H5CH2OH+H=C6H5CHOH+H2 4.30E+00 3.98 3384.0 !!LIKE TOLUENE 2/3 !!!C6H5CH2OH+H=C6H5CH2OJ+H2 5.360E+04 2.530 4.405E+03 !LIKE C2H5OH+H !C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.00 -2000.0 !C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.00 3600.0 !C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.00 -2000.0 !C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.00 12000.0 !C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.00 12000.0 !C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.00 104069.0 !ESTIMATE FROM THERMCHEM !C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.00 101225.0 !ESTIMATE FROM THERMCHEM !C6H5CHOH=C6H5CHO+H 5.00E+13 0.00 42000.0 !!! OLD 2.00E+14 0.00 23300.0: Modifified in analogy to CH2O+H !C6H5CHOH+O2=C6H5CHO+HO2 3.810E+06 2.00 1.641E+03 !MM THIS IS THE RATE ADOPTED FOR ETHANOLV RESULTS DON'T change !C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.00 0.0 !C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.18 -447.0 ! ! ! MEC6H4CH2OJ+O2=HO2+MEC6H4CHO 6.60E+10 0.00 2.200E+03 !!TSA CH3O+O2 ! MEC6H4CH2OJ=MEC6H4CHO+H 1.000E+14 0.00 2.910E+04 !!!MM 2003RAU/BOY431-442 MEC6H4CH2OJ=C6H4CH3+CH2O 1.464E+20 -1.97 3.509E+04 !!!MM MEC6H4CH2OJ+H=MEC6H4CHO+H2 4.00E+13 0.0 0.00 MEC6H4CH2OJ+OH=MEC6H4CHO+H2O 2.00E+13 0.0 0.00 MEC6H4CH2OJ+HO2=MEC6H4CHO+H2O2 2.00E+13 0.0 0.00 MEC6H4CH2OJ+CH3=MEC6H4CHO+CH4 2.00E+13 0.0 0.00 MEC6H4CH2OJ+PXYLCH2J=MEC6H4CHO+P-XYL 1.00E+13 0.0 0.00 ! ! ! ! !BENZALDEHYDE ! C6H4CH3+HCO=MEC6H4CHO 5.00E+12 0.00 0.0 !BOUNACEUR2005 MEC6H4CHO+OH=H2O+MEC6H4CJO 3.44E+09 1.18 -447.0 !PITZ2001 MEC6H4CHO+H=H2+MEC6H4CJO 7.470E+00 3.98 1384.0 !!!!LIKE TOLUENE 2000 BONUS ACYLIC PREV 2.28E+10 1.05 3279.0 !PITZ2001 MEC6H4CHO=MEC6H4CJO+H 4.00E+15 0.00 83700.0 !BOUNACEUR2005 MEC6H4CHO+O=MEC6H4CJO+OH 6.00E+12 0.00 1800.0 !BOUNACEUR2005 MEC6H4CHO+O2=MEC6H4CJO+HO2 7.00E+11 0.00 39500.0 !BOUNACEUR2005 MEC6H4CHO+HO2=MEC6H4CJO+H2O2 7.00E+02 3.00 10000.0 !Like toluene MEC6H4CHO+CH3=MEC6H4CJO+CH4 2.00E-06 5.60 1500.0 !BOUNACEUR2005 ! ! MEC6H4CHO+C6H5=MEC6H4CJO+C6H6 2.0E+1 3.51 3743.00 !!!NIST CH2O+C2H3 1.30E+11 0.00 11500.0 !BOUNACEUR2005 ! ! MEC6H4CHO+PXYLCH2J=MEC6H4CJO+P-XYL 1.60E+12 0.0 13100.0 !!!! 1.26E+08 1.9 18200.0 !!TSA !C6H5CHO+PXYLCH2J=C6H5CJO+P-XYL 2.8E+03 2.81 5773.00 !!!!MILANO (better agreement with 1991TSA221-273 CH2O+C3H5-A) 1.30E+11 0.00 11500.0 !BOUNACEUR2005 ! ! MEC6H4CJO=C6H4CH3+CO 1.370E+21 -2.179 3.941E+04 !MM like c2h3co=c2h3+co 3.00E+12 0.00 34860.0 !PITZ2001 ! MEC6H4CJO+HO2=C6H4CH3+CO2+OH 10.0E+12 0.0 0.0 !!TEST ! ! ! ! ! !ABSTRACTIONS --> PHENyL ! P-XYL+H=MEC6H3CH3+H2 1.899E+07 2.0 9696.0 !ELLIS2003 P-XYL+O=MEC6H3CH3+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 P-XYL+OH=MEC6H3CH3+H2O 23.37E+03 2.68 730.0 !Like Benzene P-XYL+CH3=MEC6H3CH3+CH4 1.700E+00 3.7 9500.0 !Pitz est based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 4.37E-04 5.00 12300.0 !Sivaramakrishnan 2006 P-XYL+HO2=MEC6H3CH3+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 ! ! ! ! ! !PHENYL OXYDATION ! MEC6H3CH3+O2=>O2MEC6H3CH3 1.0E+13 0.0 0.0 ! LIKE BENZENE O2MEC6H3CH3=>MEC6H3CH3+O2 6.36E19 -1.37 4.87E04 !TEST !MEC6H3CH3+O2=O2MEC6H3CH3 2.35E+160 -45.03 60240.0 !SILVA2007 MEC6H3CH3+O2=OMEC6H3CH3+O 7.27E+29 -4.72 15600.0 !SILVA2007 ! O2MEC6H3CH3=>OMEC6H3CH3+O 1.64E+43 -8.82 50880.0 !SILVA2007!!!!!PROBLEMA THERMAL SEGATE!!!! OMEC6H3CH3+O=>O2MEC6H3CH3 2.00E+14 0.0 0.0 !! ! !SILVA ! !!!!!MEC6H3CH3+O2=OC6H4CH2+OH 4.35E+23 -3.36 8980.0 !SILVA2007 !!!!!MEC6H3CH3+O2=RODC6J(C)DO 1.024E+25 -3.54 8780.0 !SILVA2007 !!!!!O2MEC6H3CH3=OMEC6H3CH2+OH 5.35E+43 -9.50 43440.0 !SILVA2007 !!!!!O2MEC6H3CH3=RODC6J(C)DO 6.64E+46 -10.16 44320.0 !SILVA2007 ! OMEC6H3CH3=H+C6H5CH3+CO 7.6E+11 0.0 43800.0 !BOUNACEUR2005 !!!!!OMEC6H3CH3+HO2=OC6H4O+CH3+OH 7.6E+11 0.0 43800.0 !BOUNACEUR2005 ! ! MEC6H3CH3+H=PXYLCH2J+H 1.0E+13 0.0 0.0 !BOUNACEUR2005 MEC6H3CH3+O=OMEC6H3CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 MEC6H3CH3+OH=HOMEC6H3CH3 3.0E+13 0.0 0.0 !BOUNACEUR2005 MEC6H3CH3+HO2=OMEC6H3CH3+OH 5.0E+12 0.0 0.0 !BOUNACEUR2005 !! OMEC6H3CH3+H=HOMEC6H3CH3 2.5E+14 0.0 0.0 !1E+14BOUNACEUR2005 !!!!MM Like Phenoxy+h ! HOMEC6H3CH3+O2=OMEC6H3CH3+HO2 1.0E+13 0.0 38900.0 !BOUNACEUR2 HOMEC6H3CH3+H=HOC6H4CH3+CH3 5.8E+13 0.0 8100.0 !BOUNACEUR2005 HOMEC6H3CH3+H=OMEC6H3CH3+H2 1.2E+14 0.0 12400.0 !BOUNACEUR200 HOMEC6H3CH3+O=OMEC6H3CH3+OH 1.3E+13 0.0 2900.0 !BOUNACEUR200 HOMEC6H3CH3+OH=OMEC6H3CH3+H2O 1.4E+08 1.4 -960.0 !BOUNACEUR20 HOMEC6H3CH3+HO2=OMEC6H3CH3+H2O2 1.0E+12 0.0 10000.0 !BOUNACEUR2005 HOMEC6H3CH3+CH3=OMEC6H3CH3+CH4 1.8E+11 0.0 7700.0 !BOUNACEUR2 HOMEC6H3CH3+C6H5=OMEC6H3CH3+C6H6 4.9E+12 0.0 4400.0 !BOUNACEUR2005 HOMEC6H3CH3+CY13PD5J=OMEC6H3CH3+CY13PD 4.9E+11 0.0 9400.0 !BOUNACEUR2005 HOMEC6H3CH3+C6H5OJ=OMEC6H3CH3+C6H5OH 4.9E+11 0.0 9400.0 !BOUNACEUR2005 ! ! !!!MISSING SPECIES !!!!!!HOMEC6H3CH3+O2=HOMEC6H3CH2+HO2 2.1E+12 0.0 39700.0 !BOUNACEUR2 !!!!!!HOMEC6H3CH3+H=HOC6H4CH2+H2 1.2E+14 0.0 8400.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+O=HOC6H4CH2+OH 6.3E+11 0.0 0.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+OH=HOC6H4CH2+H2O 5.2E+09 1.0 870.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+HO2=HOC6H4CH2+H2O2 4.0E+11 0.0 14000.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+CH3=HOC6H4CH2+CH4 1.6E+12 0.0 11100.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+C3H3=HOC6H4CH2+C3H4-P 1.6E+12 0.0 15100.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+C6H5=HOC6H4CH2+C6H6 7.9E+13 0.0 12000.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+MEC6H3CH3=HOC6H4CH2+P-XYL 7.9E+13 0.0 12000.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+OMEC6H3CH3=HOC6H4CH2+HOMEC6H3CH3 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11 0.0 14000.0 !BOUNACEUR2005 !!!!!!HOMEC6H3CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.6E+11 0.0 11100.0 !BOUNACEUR2005 ! ! ! !ADDITIONS ! P-XYL+O=OMEC6H3CH3+H 2.48E+14 -0.34 4674.0 !!! LIKE C6H6... 1.70E+13 0.00 4600.0 !BOUNACEUR2005 from TappeV Wagner et. al. 1989 MM +1000 ! ! ! ! ! !RECOMBINATIONS !!!C6H4CH3+CH3=P-XYL 1.2E+06 1.96 -3700.0 !BOUNACEUR2005 ! ! ! END