!Incorporates the new C1-C5 mechanism by Henry Curran with few corrections by WJP !Incorporates the updated IC8, NC7 mechs !Incorporates the 1 & 2-pentene, 1, 2 & 3-hexene mechs !Incorporates the latest changes in Toluene (Seshadri Flame) ! !1387 Species, 5739 Reactions ! ! ELEMENTS C H N O AR HE NE ! END SPECIES H H2 O O2 OH H2O N2 HO2 H2O2 CO CO2 CH2O HCO HO2CHO O2CHO HOCHO OCHO 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 CH3OCHO CH3OCO 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 NC3H7O2H IC3H7O2H NC3H7O2 IC3H7O2 NC3H7O IC3H7O C3H6O1-2 C3H6O1-3 C3KET12 C3KET13 C3KET21 C3H6OH HOC3H6O2 CH3CHCO AC3H5OOH C4H10 C4H8-1 C4H8-2 PC4H9 SC4H9 C4H71-1 C4H71-2 C4H71-3 C4H71-4 C4H72-2 C4H6 PC4H9O2H PC4H9O2 SC4H9O2 PC4H9O C4H7O C4H8O1-3 C4H8O1-4 PC4H8OH SC4H8OH C4H8OH-1O2 C4H8OH-2O2 C4H8OOH1-2 C4H8OOH1-3 C4H8OOH1-4 C4H8OOH1-2O2 C4H8OOH1-3O2 NC4KET13 C2H5COCH3 C2H5COCH2 CH2CH2COCH3 CH3CHCOCH3 C2H3COCH3 NC3H7CHO NC3H7CO C3H6CHO-1 C3H6CHO-2 C3H6CHO-3 SC3H5CHO SC3H5CO CH2CH2CHO IC4H10 IC4H9 TC4H9 IC4H8 IC4H7 TC4H9O2 IC4H9O2 TC4H8O2H-I IC4H8O2H-I IC4H8O2H-T IC4H8O IC4H9O TC4H9O IC4H9O2H TC4H9O2H IC4H7O IC4H8OH IO2C4H8OH IC3H7CHO TC3H6CHO IC3H7CO IC3H6CHO IC4H8OOH-IO2 IC4KETII IC4H7OH IC4H6OH IC3H5CHO IC3H5CO TC3H6OCHO IC3H6CO IC4H7OOH TC3H6OH IC3H5OH TC3H6O2CHO TC3H6O2HCO IC3H5O2HCHO CH2CCH2OH TC4H8CHO O2C4H8CHO O2HC4H8CO 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 C5H11O2-1 C5H11O2-2 C5H11O2-3 C5H11O-1 C5H10OOH1-2 C5H10OOH1-3 C5H10OOH1-4 C5H10OOH2-3 C5H10OOH2-4 C5H10OOH3-2 C5H10OOH3-1 C5H10O1-3 C5H10O1-4 C5H10OOH1-2O2 C5H10OOH1-3O2 C5H10OOH1-4O2 C5H10OOH2-3O2 C5H10OOH2-4O2 C5H10OOH3-1O2 C5H10OOH3-2O2 NC5KET13 NC5KET14 NC5KET23 NC5KET24 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 C6H12O1-3 C6H12O1-4 C6H13O2H-1 C6H13O2-1 C6H12OOH1-2 C6H12OOH1-3 C6H12OOH1-4 C6H12OOH1-3O2 C6H12OOH1-4O2 NC6KET13 NC6KET14 C6H13O-1 C6H12OH-3 O2C6H12OH-3 NC4H9CHO NC4H9CO C4H8CHO-2 C4H8CHO-3 C4H8CHO-4 AC3H5CO NC3H7COCH3 NC3H7COCH2 C3H6COCH3-2 C3H6COCH3-3 C2H5COC2H5 C2H5COC2H4P 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 C7H14OOH2-1 C7H14OOH2-3 C7H14OOH2-4 C7H14OOH2-5 C7H14OOH3-1 C7H14OOH3-2 C7H14OOH3-4 C7H14OOH3-5 C7H14OOH3-6 C7H14OOH4-1 C7H14OOH4-2 C7H14OOH4-3 C7H14OOH1-2O2 C7H14OOH1-3O2 C7H14OOH1-4O2 C7H14OOH2-1O2 C7H14OOH2-3O2 C7H14OOH2-4O2 C7H14OOH2-5O2 C7H14OOH3-1O2 C7H14OOH3-2O2 C7H14OOH3-4O2 C7H14OOH3-5O2 C7H14OOH3-6O2 C7H14OOH4-1O2 C7H14OOH4-2O2 C7H14OOH4-3O2 C7H14O1-3 C7H14O1-4 C7H14O2-4 C7H14O2-5 C7H14O3-5 NC7KET12 NC7KET13 NC7KET14 NC7KET21 NC7KET23 NC7KET24 NC7KET25 NC7KET31 NC7KET32 NC7KET34 NC7KET35 NC7KET36 NC7KET41 NC7KET42 NC7KET43 C7H14OH-1 C7H14OH-2 C7H14OH-3 O2C7H14OH-1 O2C7H14OH-2 O2C7H14OH-3 NC5H11CHO NC5H11CO NC4H9COCH2 C4H7OOH1-4 C4H7O1-4 C5H9OOH1-4 C5H9O1-4 C5H9OOH1-5 C5H9O1-5 C6H11OOH1-4 C6H11O1-4 C5H91-1 C4H7CHO1-1 C4H7CO1-1 C4H6CHO1-14 C4H6CHO1-13 NC3H7COC2H4P CHCHCHO C6H101-3 C6H101-4 C6H101-5 C6H102-4 ETES1 C6H112O2H-4 C6H113O2H-2 C6H111O2-4 C6H102OOH5-4 C6H102OOH4-5 C5H81-4 C5H91O2-3 C5H91O2-4 C5H91O2-5 C5H81OOH3-4 C5H81OOH3-5 C5H81OOH4-3 C5H92O2-1 C5H81OOH3-4O2 C5H81OOH3-5O2 NC5D1KET34 NC5D1KET35 CY3C5H8O C5H92O2-4 C5H92O2-5 C5H82OOH4-5 C5H82OOH5-4 C5H82OOH4-5O2 C5H82OOH5-4O2 NC5D2KET45 IC5H12 AC5H11 BC5H11 CC5H11 DC5H11 AC5H10 BC5H10 CC5H10 AC5H9-A2 AC5H9-C AC5H9-D CC5H9-A CC5H9-B AC5H9O-A2 AC5H9O-C CC5H9O-B BC5H11O2 CH3CHCHO CC6H13 AC6H12 BC6H12 CC6H12 DC6H12 AC6H11-A2 AC6H11-C AC6H11-E CC6H11-A CC6H11-B DC6H11-C AC6H11O-C CC6H11O-B DC6H11O-C CC6H13O2 TC3H6CH2COCH3 IC4H7-I1 XC7H15 YC7H15 ZC7H15 XC7H14 YC7H14 XC7H13-X1 XC7H13-Z XC7H13-X2 XC7H13-Y2 YC7H13-Y2 YC7H13-X2 XC7H13O-Z YC7H13O-Y2 YC7H15O2 ZC7H15O2 YC7H15O2H YC7H15O YC7H14OOH-X1 YC7H14OOH-Z YC7H14OOH-Y2 YC7H14OOH-X2 YC7H14OOH-Y2O2 X-Y2C7H14O Y-YC7H14O ACC6H10 ACC6H9-A ACC6H9-D NEOC5H11 NEOC5H11O2H NEOC5H11O2 NEOC5H11O NEOC5H10OOH NEOC5H10OOH-O2 NEOC5H9Q2-N NEOC5KET NEOC5KETOX NEOC5KEJOL NEOC6H12 NEOC6H11 TC4H9CHO TC4H9CO C4H7CHO2-2 C4H7CO2-2 C4H6CHO2-21 C4H6CHO2-24 CH2CCHCH3 IC3H6CHCHO IC3H6CHCO NC7H15 OC7H15 PC7H15 OC7H14 PC7H14 OC7H13-N PC7H13-N PC7H13-O PC7H15O2 PC7H15O2H PC7H15O PC7H14OOH-N PC7H14OOH-O PC7H14OOH-NO2 PC7H14OOH-OO2 N-PC7H14O NEOC7KETPN NEOC7KETPO IC8H18 AC8H17 BC8H17 CC8H17 DC8H17 IC8H16 JC8H16 IC8H15 AC8H17O2 BC8H17O2 CC8H17O2 DC8H17O2 AC8H17O2H BC8H17O2H CC8H17O2H DC8H17O2H AC8H17O BC8H17O CC8H17O DC8H17O AC8H16OOH-A AC8H16OOH-B AC8H16OOH-C BC8H16OOH-C BC8H16OOH-A BC8H16OOH-D CC8H16OOH-D CC8H16OOH-B CC8H16OOH-A DC8H16OOH-C DC8H16OOH-D DC8H16OOH-B IC8ETERAA IC8ETERAB IC8ETERAC IC8ETERBC IC8ETERBD IC8ETERDD AC8H16OOH-AO2 AC8H16OOH-BO2 AC8H16OOH-CO2 BC8H16OOH-CO2 BC8H16OOH-AO2 BC8H16OOH-DO2 CC8H16OOH-BO2 CC8H16OOH-AO2 DC8H16OOH-CO2 DC8H16OOH-DO2 DC8H16OOH-BO2 IC8KETAA IC8KETAB IC8KETAC IC8KETBA IC8KETBC IC8KETBD IC8KETDB IC8KETDD CC8H16OH-B BC8H16OH-C CC8H16OH-BO2 CC8H16O-BO2H CC8H16OH-D DC8H16OH-C BC8H16OH-CO2 BC8H16O-CO2H CC8H16OH-DO2 CC8H16O-DO2H DC8H16OH-CO2 DC8H16O-CO2H DC6H12CHO-D IC3H7COC3H7-I IC3H7COC3H6-T TC4H9COC2H4S NEOC5H11COCH3 HC6H12CHO YC7H13OOH-X1 YC7H13O-X1 XC7H13OOH-Z YC7H13OOH-X2 YC7H13O-X2 CC6H11-D IC3H6CHCOCH3 AC3H5CHCOCH3 IC3H6CHCOCH2 C6H5C2H C4H2 NC4H3 C7H6 C6H5CH3 C6H5CH2J OC6H4CH3 HOC6H4CH3 OC6H4O HOC6H4CH2 RODC6JDO OXCCXCCJXO CY13PD C6H5OH STYR BICPDJ CYPDONE HCOCJXO CYC5H5OJ CYC5H5OH CYC5H4OH CPDJONE CXCCXCXO CJXCCXCXO OXCCXCCXO OXCCXCCJCXO C4H4 NC4H5 C6H5CH2OOJ C6H5CH2OOH C6H5CH2OJ C6H5CH2OH C6H5CHOH C6H5CHO HOC6H4CH2OOH C6H4OH C6H5O2 C6H6 CY13PD5J C6H5OJ FULVENE CYC5H8 CH2CY24PD CYC6H7 CXCCXCCJ LINC6H7 CXCCXCC CH3CY24PD CYC5H7U1 OXCJCXCCXC CJXCCXO HCOHCO CPDOOH OXCCXCCXCJ CXOCCCJCXO C14H14 C14H13 STYLBEN XYLENE IND NAPH CPDCXC FULVENYL C6H5 CPDJCH3 C6H4CH3 C6H5CJO C6H5C2H5 C12H10 PHCCHPH O2C6H4CH3 RODC6J(C)DO OCCXCCXCJC C6H4 CJCXCC#C OC6H4CH2 CR1 CR2 CR3 CR4 C10H10 C6H5C2H2 PHENA C6H5C2H4P C6H5C2H4S END REACTIONS !R1 H+O2<=>O+OH 3.547E+15 -0.406 1.660E+04 REV/ 1.027E+13 -0.015 -1.330E+02 / !R2 O+H2<=>H+OH 5.080E+04 2.670 6.292E+03 REV/ 2.637E+04 2.651 4.880E+03 / !R3 OH+H2<=>H+H2O 2.160E+08 1.510 3.430E+03 REV/ 2.290E+09 1.404 1.832E+04 / !R4 O+H2O<=>OH+OH 2.970E+06 2.020 1.340E+04 REV/ 1.454E+05 2.107 -2.904E+03 / !R5 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/ !R6 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/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ !R7 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R8 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/ CH4/2/ C2H6/3/ !R9 H+O2(+M)<=>HO2(+M) 1.475E+12 0.600 0.000E+00 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/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ !R10 HO2+H<=>H2+O2 1.660E+13 0.000 8.230E+02 REV/ 3.166E+12 0.348 5.551E+04 / !R11 HO2+H<=>OH+OH 7.079E+13 0.000 2.950E+02 REV/ 2.028E+10 0.720 3.684E+04 / !R12 HO2+O<=>OH+O2 3.250E+13 0.000 0.000E+00 REV/ 3.217E+12 0.329 5.328E+04 / !R13 HO2+OH<=>H2O+O2 1.973E+10 0.962 -3.284E+02 REV/ 3.989E+10 1.204 6.925E+04 / !R14 H2O2+O2<=>HO2+HO2 1.136E+16 -0.347 4.973E+04 REV/ 1.030E+14 0.000 1.104E+04 / DUP !R15 H2O2+O2<=>HO2+HO2 2.141E+13 -0.347 3.728E+04 REV/ 1.940E+11 0.000 -1.409E+03 / DUP !R16 H2O2(+M)<=>OH+OH(+M) 2.951E+14 0.000 4.843E+04 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/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ !R17 H2O2+H<=>H2O+OH 2.410E+13 0.000 3.970E+03 REV/ 1.265E+08 1.310 7.141E+04 / !R18 H2O2+H<=>H2+HO2 2.150E+10 1.000 6.000E+03 REV/ 3.716E+07 1.695 2.200E+04 / !R19 H2O2+O<=>OH+HO2 9.550E+06 2.000 3.970E+03 REV/ 8.568E+03 2.676 1.856E+04 / !R20 H2O2+OH<=>H2O+HO2 2.000E+12 0.000 4.272E+02 REV/ 3.665E+10 0.589 3.132E+04 / DUP !R21 H2O2+OH<=>H2O+HO2 1.700E+18 0.000 2.941E+04 REV/ 3.115E+16 0.589 6.030E+04 / DUP !R22 CO+O(+M)<=>CO2(+M) 1.800E+10 0.000 2.384E+03 LOW / 1.3500E+24 -2.7880E+00 4.1910E+03 / !Lindemann Fall-off reaction H2/2/ O2/6/ H2O/6/ CO/1.5/ CO2/3.5/ CH4/2/ C2H6/3/ !R23 CO+O2<=>CO2+O 1.050E+12 0.000 4.254E+04 REV/ 8.035E+15 -0.800 5.123E+04 / !R24 CO+OH<=>CO2+H 2.230E+05 1.890 -1.158E+03 REV/ 5.896E+11 0.699 2.426E+04 / !R25 CO+HO2<=>CO2+OH 3.010E+13 0.000 2.300E+04 REV/ 2.280E+16 -0.470 8.497E+04 / !R26 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/ !R27 HCO+O2<=>CO+HO2 7.580E+12 0.000 4.100E+02 REV/ 1.198E+12 0.309 3.395E+04 / !R28 HCO+H<=>CO+H2 7.340E+13 0.000 0.000E+00 REV/ 2.212E+12 0.656 8.823E+04 / !R29 HCO+O<=>CO+OH 3.020E+13 0.000 0.000E+00 REV/ 4.725E+11 0.638 8.682E+04 / !R30 HCO+O<=>CO2+H 3.000E+13 0.000 0.000E+00 REV/ 1.241E+18 -0.553 1.122E+05 / !R31 HCO+OH<=>CO+H2O 1.020E+14 0.000 0.000E+00 REV/ 3.259E+13 0.551 1.031E+05 / !R32 HCO+CH3<=>CH4+CO 2.650E+13 0.000 0.000E+00 REV/ 7.286E+14 0.211 8.977E+04 / !R33 HCO+HO2<=>CH2O+O2 2.499E+14 -0.061 1.392E+04 REV/ 8.070E+15 0.000 5.342E+04 / !R34 HCO+HO2<=>CO2+H+OH 3.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R35 O2CHO<=>HCO+O2 9.959E+15 -1.126 4.100E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R36 CH2O+O2CHO<=>HCO+HO2CHO 1.990E+12 0.000 1.166E+04 REV/ 3.908E+14 -0.909 1.181E+04 / !R37 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 / !R38 OCHO+M<=>H+CO2+M 5.318E+14 -0.353 1.758E+04 REV/ 7.500E+13 0.000 2.900E+04 / !R39 CH2O+CO<=>HCO+HCO 9.186E+13 0.370 7.304E+04 REV/ 1.800E+13 0.000 0.000E+00 / !R40 HCO+HCO<=>H2+CO+CO 3.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R41 HCO+H(+M)<=>CH2O(+M) 1.090E+12 0.480 -2.600E+02 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R42 CO+H2(+M)<=>CH2O(+M) 4.300E+07 1.500 7.960E+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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R43 CH2O+OH<=>HCO+H2O 7.820E+07 1.630 -1.055E+03 REV/ 4.896E+06 1.811 2.903E+04 / !R44 CH2O+H<=>HCO+H2 5.740E+07 1.900 2.740E+03 REV/ 3.390E+05 2.187 1.793E+04 / !R45 CH2O+O<=>HCO+OH 6.260E+09 1.150 2.260E+03 REV/ 1.919E+07 1.418 1.604E+04 / !R46 CH2O+CH3<=>HCO+CH4 3.830E+01 3.360 4.312E+03 REV/ 2.063E+02 3.201 2.104E+04 / !R47 CH2O+HO2<=>HCO+H2O2 7.100E-03 4.517 6.580E+03 REV/ 2.426E-02 4.108 5.769E+03 / !R48 HOCH2O<=>CH2O+OH 2.056E+21 -2.336 2.573E+04 REV/ 4.500E+15 -1.100 0.000E+00 / !R49 HOCH2O<=>HOCHO+H 1.000E+14 0.000 1.490E+04 REV/ 1.123E+15 -0.295 1.150E+04 / !R50 HOCHO<=>CO+H2O 2.450E+12 0.000 6.047E+04 REV/ 2.255E+03 2.093 5.289E+04 / !R51 HOCHO<=>CO2+H2 2.950E+09 0.000 4.852E+04 REV/ 6.772E+05 1.008 5.147E+04 / !R52 HOCHO<=>HCO+OH 3.471E+22 -1.542 1.107E+05 REV/ 1.000E+14 0.000 0.000E+00 / !R53 HOCHO+O2<=>OCHO+HO2 4.101E+12 -0.308 5.988E+04 REV/ 3.500E+10 0.000 -3.275E+03 / !R54 HOCHO+OH<=>H2O+CO2+H 2.620E+06 2.060 9.160E+02 REV/ 0.000E+00 0.000 0.000E+00 / !R55 HOCHO+OH<=>H2O+CO+OH 1.850E+07 1.510 -9.620E+02 REV/ 0.000E+00 0.000 0.000E+00 / !R56 HOCHO+H=>H2+CO2+H 4.240E+06 2.100 4.868E+03 ! WJP: Fwd only. !R57 HOCHO+H<=>H2+CO+OH 6.030E+13 -0.350 2.988E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R58 HOCHO+CH3<=>CH4+CO+OH 3.900E-07 5.800 2.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R59 HOCHO+HO2<=>OCHO+H2O2 2.549E+12 0.040 3.447E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R60 HOCHO+HO2=>H2O2+CO+OH 1.000E+12 0.000 1.192E+04 ! WJP: Fwd only. !R61 HOCHO+O=>CO+OH+OH 1.770E+18 -1.900 2.975E+03 ! WJP: Fwd only. !R62 HOCHO+HCO<=>CH2O+OCHO 8.584E+11 0.040 2.675E+04 REV/ 5.600E+12 0.000 1.360E+04 / !R63 CH3O(+M)<=>CH2O+H(+M) 6.800E+13 0.000 2.617E+04 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/ !R64 CH3O+O2<=>CH2O+HO2 4.380E-19 9.500 -5.501E+03 REV/ 1.416E-20 9.816 2.108E+04 / !R65 CH2O+CH3O<=>CH3OH+HCO 6.620E+11 0.000 2.294E+03 REV/ 8.393E+10 0.074 1.771E+04 / !R66 CH4+CH3O<=>CH3+CH3OH 6.119E+02 2.867 8.248E+03 REV/ 1.440E+01 3.100 6.935E+03 / !R67 CH3O+CH3<=>CH2O+CH4 1.200E+13 0.000 0.000E+00 REV/ 6.749E+13 0.218 8.281E+04 / !R68 CH3O+H<=>CH2O+H2 2.000E+13 0.000 0.000E+00 REV/ 1.233E+11 0.664 8.127E+04 / !R69 CH3O+HO2<=>CH2O+H2O2 3.010E+11 0.000 0.000E+00 REV/ 1.074E+12 -0.031 6.527E+04 / !R70 CH2O+H(+M)<=>CH2OH(+M) 5.400E+11 0.454 3.600E+03 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/ !R71 CH2OH+O2<=>CH2O+HO2 1.510E+15 -1.000 0.000E+00 REV/ 1.975E+14 -0.580 2.006E+04 / DUP !R72 CH2OH+O2<=>CH2O+HO2 2.410E+14 0.000 5.017E+03 REV/ 3.152E+13 0.420 2.508E+04 / DUP !R73 CH2OH+H<=>CH2O+H2 6.000E+12 0.000 0.000E+00 REV/ 1.497E+11 0.768 7.475E+04 / !R74 CH2OH+HO2<=>CH2O+H2O2 1.200E+13 0.000 0.000E+00 REV/ 1.732E+14 0.073 5.875E+04 / !R75 CH2OH+HCO<=>CH2O+CH2O 1.800E+14 0.000 0.000E+00 REV/ 7.602E+14 0.481 5.956E+04 / !R76 CH2OH+CH3O<=>CH2O+CH3OH 2.400E+13 0.000 0.000E+00 REV/ 1.285E+13 0.555 7.498E+04 / !R77 CH2OH+CH2O<=>CH3OH+HCO 1.878E+04 2.722 4.208E+03 REV/ 9.630E+03 2.900 1.311E+04 / !R78 OH+CH2OH<=>H2O+CH2O 2.400E+13 0.000 0.000E+00 REV/ 6.347E+12 0.662 8.964E+04 / !R79 O+CH2OH<=>OH+CH2O 4.200E+13 0.000 0.000E+00 REV/ 5.438E+11 0.749 7.334E+04 / !R80 CH2O+CH3OH<=>CH2OH+CH2OH 6.498E+12 0.659 6.846E+04 REV/ 3.000E+12 0.000 0.000E+00 / !R81 CH2OH+HO2<=>HOCH2O+OH 1.000E+13 0.000 0.000E+00 REV/ 8.169E+13 -0.024 3.347E+04 / !R86 CH3OH(+M)<=>CH3+OH(+M) 1.900E+16 0.000 9.173E+04 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 !R87 CH3OH(+M)<=>CH2OH+H(+M) 2.690E+16 -0.080 9.894E+04 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 !R88 CH3OH+H<=>CH3O+H2 3.600E+12 0.000 6.095E+03 REV/ 1.677E+11 0.212 5.868E+03 / !R89 CH3OH+H<=>CH2OH+H2 1.204E+06 2.400 2.583E+03 REV/ 1.386E+04 2.509 8.871E+03 / !R90 CH3OH+O<=>CH2OH+OH 3.880E+05 2.500 3.080E+03 REV/ 2.319E+03 2.590 7.956E+03 / !R91 CH3OH+OH<=>CH3O+H2O 5.130E+05 2.130 2.450E+03 REV/ 2.534E+05 2.237 1.712E+04 / !R92 CH3OH+OH<=>CH2OH+H2O 1.440E+06 2.000 -8.390E+02 REV/ 1.758E+05 2.003 2.034E+04 / !R93 CH3OH+O2<=>CH2OH+HO2 2.050E+13 0.000 4.490E+04 REV/ 1.238E+12 -0.239 -3.501E+03 / !R94 CH3OH+HO2<=>CH2OH+H2O2 1.080E+04 2.550 1.053E+04 REV/ 7.195E+04 1.963 8.190E+02 / !R95 CH3OH+CH3<=>CH2OH+CH4 3.190E+01 3.170 7.172E+03 REV/ 3.351E+02 2.833 1.500E+04 / !R96 CH3O+CH3OH<=>CH2OH+CH3OH 3.000E+11 0.000 4.074E+03 REV/ 7.416E+10 -0.104 1.059E+04 / !R97 CH3OH+CH2O<=>CH3O+CH3O 7.981E+12 0.452 8.149E+04 REV/ 6.030E+13 0.000 0.000E+00 / !R98 CH3+H(+M)<=>CH4(+M) 1.270E+16 -0.600 3.830E+02 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R99 CH4+H<=>CH3+H2 6.140E+05 2.500 9.587E+03 REV/ 6.730E+02 2.946 8.047E+03 / !R100 CH4+OH<=>CH3+H2O 5.830E+04 2.600 2.190E+03 REV/ 6.776E+02 2.940 1.554E+04 / !R101 CH4+O<=>CH3+OH 1.020E+09 1.500 8.600E+03 REV/ 5.804E+05 1.927 5.648E+03 / !R102 CH4+HO2<=>CH3+H2O2 1.130E+01 3.740 2.101E+04 REV/ 7.166E+00 3.491 3.468E+03 / !R103 CH4+CH2<=>CH3+CH3 2.460E+06 2.000 8.270E+03 REV/ 1.736E+06 1.868 1.298E+04 / !R104 CH3+OH<=>CH2O+H2 8.000E+09 0.500 -1.755E+03 REV/ 1.066E+12 0.322 6.821E+04 / !R105 CH3+OH<=>CH2(S)+H2O 4.508E+17 -1.340 1.417E+03 REV/ 1.654E+16 -0.855 1.039E+03 / !R106 CH3+OH<=>CH3O+H 6.943E+07 1.343 1.120E+04 REV/ 1.500E+12 0.500 -1.100E+02 / !R107 CH3+OH<=>CH2OH+H 3.090E+07 1.596 4.506E+03 REV/ 1.650E+11 0.650 -2.840E+02 / !R108 CH3+OH<=>CH2+H2O 5.600E+07 1.600 5.420E+03 REV/ 9.224E+05 2.072 1.406E+04 / !R109 CH3+HO2<=>CH3O+OH 1.000E+12 0.269 -6.875E+02 REV/ 6.190E+12 0.147 2.455E+04 / !R110 CH3+HO2<=>CH4+O2 1.160E+05 2.230 -3.022E+03 REV/ 2.018E+07 2.132 5.321E+04 / !R111 CH3+O<=>CH2O+H 5.540E+13 0.050 -1.360E+02 REV/ 3.830E+15 -0.147 6.841E+04 / !R112 CH3+O2<=>CH3O+O 7.546E+12 0.000 2.832E+04 REV/ 4.718E+14 -0.451 2.880E+02 / !R113 CH3+O2<=>CH2O+OH 2.641E+00 3.283 8.105E+03 REV/ 5.285E-01 3.477 5.992E+04 / !R114 CH3+O2(+M)<=>CH3O2(+M) 7.812E+09 0.900 0.000E+00 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 !R115 CH3O2+CH2O<=>CH3O2H+HCO 1.990E+12 0.000 1.166E+04 REV/ 1.323E+14 -0.853 9.259E+03 / !R116 CH4+CH3O2<=>CH3+CH3O2H 1.810E+11 0.000 1.848E+04 REV/ 2.233E+12 -0.694 -6.550E+02 / !R117 CH3OH+CH3O2<=>CH2OH+CH3O2H 1.810E+12 0.000 1.371E+04 REV/ 2.346E+14 -1.031 2.404E+03 / !R118 CH3O2+CH3<=>CH3O+CH3O 5.080E+12 0.000 -1.411E+03 REV/ 1.967E+12 0.176 2.807E+04 / !R119 CH3O2+HO2<=>CH3O2H+O2 2.470E+11 0.000 -1.570E+03 REV/ 5.302E+14 -0.792 3.552E+04 / !R120 CH3O2+CH3O2<=>CH2O+CH3OH+O2 3.110E+14 -1.610 -1.051E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R121 CH3O2+CH3O2<=>O2+CH3O+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R122 CH3O2+H<=>CH3O+OH 9.600E+13 0.000 0.000E+00 REV/ 1.720E+09 1.019 4.078E+04 / !R123 CH3O2+O<=>CH3O+O2 3.600E+13 0.000 0.000E+00 REV/ 2.229E+11 0.628 5.752E+04 / !R124 CH3O2+OH<=>CH3OH+O2 6.000E+13 0.000 0.000E+00 REV/ 1.536E+13 0.434 5.916E+04 / !R125 CH3O2H<=>CH3O+OH 6.310E+14 0.000 4.230E+04 REV/ 2.514E+06 1.883 -2.875E+03 / !R126 CH2(S)<=>CH2 1.000E+13 0.000 0.000E+00 REV/ 4.488E+12 -0.013 9.020E+03 / !R127 CH2(S)+CH4<=>CH3+CH3 1.600E+13 0.000 -5.700E+02 REV/ 5.067E+12 -0.145 1.316E+04 / !R128 CH2(S)+O2<=>CO+OH+H 7.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R129 CH2(S)+H2<=>CH3+H 7.000E+13 0.000 0.000E+00 REV/ 2.022E+16 -0.591 1.527E+04 / !R130 CH2(S)+H<=>CH2+H 3.000E+13 0.000 0.000E+00 REV/ 1.346E+13 -0.013 9.020E+03 / !R131 CH2(S)+H<=>CH+H2 3.000E+13 0.000 0.000E+00 REV/ 6.948E+13 -0.253 1.248E+04 / !R132 CH2(S)+O<=>CO+H+H 3.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R133 CH2(S)+OH<=>CH2O+H 3.000E+13 0.000 0.000E+00 REV/ 1.154E+18 -0.770 8.523E+04 / !R134 CH2(S)+CO2<=>CH2O+CO 3.000E+12 0.000 0.000E+00 REV/ 4.366E+10 0.421 5.981E+04 / !R135 CH2+H(+M)<=>CH3(+M) 2.500E+16 -0.800 0.000E+00 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R136 CH2+O2<=>CH2O+O 2.400E+12 0.000 1.500E+03 REV/ 5.955E+14 -0.365 6.098E+04 / !R137 CH2+O2<=>CO2+H+H 5.800E+12 0.000 1.500E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R138 CH2+O2<=>CO+OH+H 5.000E+12 0.000 1.500E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R139 CH2+O<=>CO+H+H 5.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R140 CH2+H<=>CH+H2 1.000E+18 -1.560 0.000E+00 REV/ 5.160E+18 -1.800 3.460E+03 / DUP !R141 CH2+OH<=>CH+H2O 1.130E+07 2.000 3.000E+03 REV/ 6.183E+08 1.655 2.135E+04 / !R142 CH+O2<=>HCO+O 3.300E+13 0.000 0.000E+00 REV/ 9.371E+12 0.161 7.121E+04 / !R143 C+OH<=>CO+H 5.000E+13 0.000 0.000E+00 REV/ 1.356E+15 0.000 1.543E+05 / !R144 C+O2<=>CO+O 5.000E+13 0.000 0.000E+00 REV/ 1.070E+14 0.000 1.382E+05 / !R145 CH+H<=>C+H2 5.000E+13 0.000 0.000E+00 REV/ 2.043E+14 0.000 2.382E+04 / !R146 CH+O<=>CO+H 5.700E+13 0.000 0.000E+00 REV/ 2.774E+15 0.000 1.760E+05 / !R147 CH+OH<=>HCO+H 3.000E+13 0.000 0.000E+00 REV/ 5.069E+14 0.000 8.811E+04 / !R148 CH2+H<=>CH+H2 2.700E+11 0.670 2.570E+04 REV/ 1.897E+11 0.670 2.873E+04 / DUP !R149 CH+H2O<=>H+CH2O 1.713E+13 0.000 -7.550E+02 REV/ 8.372E+14 0.000 5.752E+04 / !R150 CH+CO2<=>HCO+CO 1.700E+12 0.000 6.850E+02 REV/ 2.565E+11 0.000 6.646E+04 / !R151 CH3+CH3(+M)<=>C2H6(+M) 9.214E+16 -1.170 6.358E+02 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R152 C2H5+H(+M)<=>C2H6(+M) 5.210E+17 -0.990 1.580E+03 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R153 C2H6+H<=>C2H5+H2 1.150E+08 1.900 7.530E+03 REV/ 1.062E+04 2.582 9.760E+03 / !R154 C2H6+O<=>C2H5+OH 3.550E+06 2.400 5.830E+03 REV/ 1.702E+02 3.063 6.648E+03 / !R155 C2H6+OH<=>C2H5+H2O 1.480E+07 1.900 9.500E+02 REV/ 1.450E+04 2.476 1.807E+04 / !R156 C2H6+O2<=>C2H5+HO2 6.030E+13 0.000 5.187E+04 REV/ 2.921E+10 0.334 -5.930E+02 / !R157 C2H6+CH3<=>C2H5+CH4 1.510E-07 6.000 6.047E+03 REV/ 1.273E-08 6.236 9.817E+03 / !R158 C2H6+HO2<=>C2H5+H2O2 3.460E+01 3.610 1.692E+04 REV/ 1.849E+00 3.597 3.151E+03 / !R159 C2H6+CH3O2<=>C2H5+CH3O2H 1.940E+01 3.640 1.710E+04 REV/ 2.017E+01 3.182 1.734E+03 / !R160 C2H6+CH3O<=>C2H5+CH3OH 2.410E+11 0.000 7.090E+03 REV/ 4.779E+08 0.469 9.547E+03 / !R161 C2H6+CH<=>C2H5+CH2 1.100E+14 0.000 -2.600E+02 REV/ 1.969E+09 0.921 -1.490E+03 / !R162 CH2(S)+C2H6<=>CH3+C2H5 1.200E+14 0.000 0.000E+00 REV/ 3.203E+12 0.091 1.750E+04 / !R163 C2H4+H(+M)<=>C2H5(+M) 1.081E+12 0.454 1.822E+03 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R164 H2+CH3O2<=>H+CH3O2H 1.500E+14 0.000 2.603E+04 REV/ 1.688E+18 -1.140 8.434E+03 / !R165 H2+C2H5O2<=>H+C2H5O2H 1.500E+14 0.000 2.603E+04 REV/ 1.691E+18 -1.140 8.438E+03 / !R166 C2H5+C2H3<=>C2H4+C2H4 6.859E+11 0.110 -4.300E+03 REV/ 4.820E+14 0.000 7.153E+04 / !R167 CH3+C2H5<=>CH4+C2H4 1.180E+04 2.450 -2.921E+03 REV/ 2.390E+06 2.400 6.669E+04 / !R168 C2H5+H<=>CH3+CH3 9.690E+13 0.000 2.200E+02 REV/ 2.029E+09 1.028 1.051E+04 / !R169 C2H5+H<=>C2H4+H2 2.000E+12 0.000 0.000E+00 REV/ 4.440E+11 0.396 6.807E+04 / !R170 C2H5+O<=>CH3CHO+H 1.100E+14 0.000 0.000E+00 REV/ 1.033E+17 -0.500 7.742E+04 / !R171 C2H5+HO2<=>C2H5O+OH 1.100E+13 0.000 0.000E+00 REV/ 9.680E+15 -0.723 2.765E+04 / !R172 CH3O2+C2H5<=>CH3O+C2H5O 8.000E+12 0.000 -1.000E+03 REV/ 4.404E+14 -0.425 3.089E+04 / !R173 C2H5O+O2<=>CH3CHO+HO2 4.280E+10 0.000 1.097E+03 REV/ 1.322E+08 0.615 3.413E+04 / !R174 C2H5O<=>CH3+CH2O 1.321E+20 -2.018 2.075E+04 REV/ 3.000E+11 0.000 6.336E+03 / !R175 C2H5O<=>CH3CHO+H 5.428E+15 -0.687 2.223E+04 REV/ 8.000E+12 0.000 6.400E+03 / !R176 C2H5O2<=>C2H5+O2 1.312E+62 -14.784 4.918E+04 REV/ 2.876E+56 -13.820 1.462E+04 / !R177 C2H5O2+CH2O<=>C2H5O2H+HCO 1.990E+12 0.000 1.166E+04 REV/ 1.325E+14 -0.853 9.263E+03 / !R178 CH4+C2H5O2<=>CH3+C2H5O2H 1.810E+11 0.000 1.848E+04 REV/ 2.237E+12 -0.694 -6.510E+02 / !R179 CH3OH+C2H5O2<=>CH2OH+C2H5O2H 1.810E+12 0.000 1.371E+04 REV/ 2.350E+14 -1.031 2.408E+03 / !R180 C2H5O2+HO2<=>C2H5O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.763E+13 -0.792 3.382E+04 / !R181 C2H6+C2H5O2<=>C2H5+C2H5O2H 8.600E+00 3.760 1.720E+04 REV/ 8.957E+00 3.302 1.838E+03 / !R182 C2H5O2H<=>C2H5O+OH 6.310E+14 0.000 4.230E+04 REV/ 5.661E+08 1.033 -1.705E+03 / !R183 C2H4O2H<=>C2H5+O2 4.374E+47 -12.115 3.102E+04 REV/ 1.814E+45 -11.500 1.460E+04 / !R184 C2H5+O2<=>C2H4+HO2 7.561E+14 -1.010 4.749E+03 REV/ 8.802E+14 -0.962 1.813E+04 / DUP !R185 C2H5+O2<=>C2H4+HO2 4.000E-01 3.880 1.362E+04 REV/ 4.656E-01 3.928 2.700E+04 / DUP !R186 C2H5+O2<=>C2H4O1-2+OH 1.626E+11 -0.310 6.150E+03 REV/ 3.633E+13 -0.626 3.984E+04 / !R187 C2H5+O2<=>CH3CHO+OH 8.265E+02 2.410 5.285E+03 REV/ 2.247E+03 2.301 6.597E+04 / !R188 C2H5O2<=>C2H4O2H 2.276E+39 -8.479 4.517E+04 REV/ 1.203E+36 -8.130 2.702E+04 / !R189 C2H5O2<=>CH3CHO+OH 2.520E+41 -10.200 4.371E+04 REV/ 1.502E+36 -9.345 6.984E+04 / !R190 C2H5O2<=>C2H4+HO2 1.815E+38 -8.450 3.789E+04 REV/ 4.632E+32 -7.438 1.670E+04 / !R191 C2H5O2<=>C2H4O1-2+OH 4.000E+43 -10.460 4.558E+04 REV/ 1.959E+40 -9.812 4.471E+04 / !R192 C2H4O2H<=>C2H4O1-2+OH 8.848E+30 -6.080 2.066E+04 REV/ 8.199E+30 -5.781 3.793E+04 / !R193 C2H4O2H<=>C2H4+HO2 3.980E+34 -7.250 2.325E+04 REV/ 1.922E+32 -6.587 2.021E+04 / !R194 C2H4O2H<=>CH3CHO+OH 1.188E+34 -9.020 2.921E+04 REV/ 1.339E+32 -8.514 7.348E+04 / !R195 C2H4O1-2<=>CH3+HCO 3.630E+13 0.000 5.720E+04 REV/ 1.006E+04 1.549 -2.750E+03 / !R196 C2H4O1-2<=>CH3CHO 7.407E+12 0.000 5.380E+04 REV/ 9.013E+10 0.207 8.080E+04 / !R197 C2H4O1-2+OH<=>C2H3O1-2+H2O 1.780E+13 0.000 3.610E+03 REV/ 1.347E+10 0.693 2.474E+04 / !R198 C2H4O1-2+H<=>C2H3O1-2+H2 8.000E+13 0.000 9.680E+03 REV/ 5.710E+09 0.799 1.592E+04 / !R199 C2H4O1-2+HO2<=>C2H3O1-2+H2O2 1.130E+13 0.000 3.043E+04 REV/ 4.666E+11 0.104 2.067E+04 / !R200 C2H4O1-2+CH3O2<=>C2H3O1-2+CH3O2H 1.130E+13 0.000 3.043E+04 REV/ 9.078E+12 -0.341 1.907E+04 / !R201 C2H4O1-2+C2H5O2<=>C2H3O1-2+C2H5O2H 1.130E+13 0.000 3.043E+04 REV/ 9.093E+12 -0.341 1.908E+04 / !R202 C2H4O1-2+CH3<=>C2H3O1-2+CH4 1.070E+12 0.000 1.183E+04 REV/ 6.967E+10 0.353 1.961E+04 / !R203 C2H4O1-2+CH3O<=>C2H3O1-2+CH3OH 1.200E+11 0.000 6.750E+03 REV/ 1.839E+08 0.586 1.322E+04 / !R204 C2H3O1-2<=>CH3CO 8.500E+14 0.000 1.400E+04 REV/ 1.002E+14 0.041 4.871E+04 / !R205 C2H3O1-2<=>CH2CHO 1.000E+14 0.000 1.400E+04 REV/ 1.245E+15 -0.375 4.401E+04 / !R206 CH3CHO<=>CH3+HCO 7.687E+20 -1.342 8.695E+04 REV/ 1.750E+13 0.000 0.000E+00 / !R207 CH3CHO+H<=>CH3CO+H2 2.370E+13 0.000 3.642E+03 REV/ 1.639E+10 0.633 1.760E+04 / !R208 CH3CHO+O<=>CH3CO+OH 5.940E+12 0.000 1.868E+03 REV/ 2.133E+09 0.614 1.441E+04 / !R209 CH3CHO+OH<=>CH3CO+H2O 3.370E+12 0.000 -6.190E+02 REV/ 2.472E+10 0.527 2.823E+04 / !R210 CH3CHO+O2<=>CH3CO+HO2 3.010E+13 0.000 3.915E+04 REV/ 1.092E+11 0.285 -1.588E+03 / !R211 CH3CHO+CH3<=>CH3CO+CH4 7.080E-04 4.580 1.966E+03 REV/ 4.468E-04 4.767 1.746E+04 / !R212 CH3CHO+HO2<=>CH3CO+H2O2 3.010E+12 0.000 1.192E+04 REV/ 1.205E+12 -0.062 9.877E+03 / !R213 CH3O2+CH3CHO<=>CH3O2H+CH3CO 3.010E+12 0.000 1.192E+04 REV/ 2.344E+13 -0.507 8.282E+03 / !R214 CH3CHO+CH3CO3<=>CH3CO+CH3CO3H 3.010E+12 0.000 1.192E+04 REV/ 1.922E+12 -0.010 1.265E+04 / !R215 CH3CHO+OH<=>CH3+HOCHO 3.000E+15 -1.076 0.000E+00 REV/ 2.371E+16 -1.277 2.375E+04 / !R216 CH3CHO+OH<=>CH2CHO+H2O 1.720E+05 2.400 8.150E+02 REV/ 1.332E+05 2.511 2.495E+04 / !R217 CH3CO(+M)<=>CH3+CO(+M) 3.000E+12 0.000 1.672E+04 LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / !Lindemann Fall-off reaction !R218 CH3CO+H<=>CH2CO+H2 2.000E+13 0.000 0.000E+00 REV/ 1.037E+13 0.201 6.056E+04 / !R219 CH3CO+O<=>CH2CO+OH 2.000E+13 0.000 0.000E+00 REV/ 5.381E+12 0.182 5.914E+04 / !R220 CH3CO+CH3<=>CH2CO+CH4 5.000E+13 0.000 0.000E+00 REV/ 2.364E+16 -0.245 6.210E+04 / !R221 CH3CO3<=>CH3CO+O2 6.863E+19 -1.949 3.853E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R222 CH3CO3+HO2<=>CH3CO3H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.080E+12 -0.294 3.818E+04 / !R223 H2O2+CH3CO3<=>HO2+CH3CO3H 2.410E+12 0.000 9.936E+03 REV/ 3.845E+12 0.053 1.271E+04 / !R224 CH4+CH3CO3<=>CH3+CH3CO3H 1.810E+11 0.000 1.848E+04 REV/ 1.831E+11 -0.196 3.711E+03 / !R225 CH2O+CH3CO3<=>HCO+CH3CO3H 1.990E+12 0.000 1.166E+04 REV/ 1.085E+13 -0.356 1.362E+04 / !R226 C2H6+CH3CO3<=>C2H5+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 1.450E+12 0.040 9.460E+03 / !R227 CH3CO3H<=>CH3CO2+OH 5.010E+14 0.000 4.015E+04 REV/ 3.618E+07 1.761 1.338E+03 / !R228 CH3CO2+M<=>CH3+CO2+M 4.400E+15 0.000 1.050E+04 REV/ 4.548E+08 1.378 1.752E+04 / !R229 CH2CHO<=>CH2CO+H 4.071E+15 -0.342 5.060E+04 REV/ 5.000E+13 0.000 1.230E+04 / !R230 CH2CHO+O2<=>CH2O+CO+OH 8.950E+13 -0.600 1.012E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R231 CH2+CO(+M)<=>CH2CO(+M) 8.100E+11 0.000 0.000E+00 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R232 CH2CO+H<=>CH3+CO 1.100E+13 0.000 3.400E+03 REV/ 2.400E+12 0.000 4.020E+04 / !R233 CH2CO+H<=>HCCO+H2 2.000E+14 0.000 8.000E+03 REV/ 1.434E+11 0.470 4.520E+03 / !R234 CH2CO+O<=>CH2+CO2 1.750E+12 0.000 1.350E+03 REV/ 2.854E+09 0.809 4.944E+04 / !R235 CH2CO+O<=>HCCO+OH 1.000E+13 0.000 8.000E+03 REV/ 3.723E+09 0.452 3.108E+03 / !R236 CH2CO+OH<=>HCCO+H2O 1.000E+13 0.000 2.000E+03 REV/ 7.604E+10 0.365 1.341E+04 / !R237 CH2CO+OH<=>CH2OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 8.170E+09 0.494 2.453E+04 / !R238 CH2(S)+CH2CO<=>C2H4+CO 1.600E+14 0.000 0.000E+00 REV/ 3.750E+14 0.217 1.034E+05 / !R239 HCCO+OH<=>H2+CO+CO 1.000E+14 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R240 H+HCCO<=>CH2(S)+CO 1.100E+13 0.000 0.000E+00 REV/ 4.061E+07 1.561 1.854E+04 / !R241 HCCO+O<=>H+CO+CO 8.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R242 HCCO+O2<=>OH+CO+CO 4.200E+10 0.000 8.500E+02 REV/ 0.000E+00 0.000 0.000E+00 / !R243 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 !R244 CH+CH2O<=>H+CH2CO 9.460E+13 0.000 -5.150E+02 REV/ 1.623E+15 0.000 6.906E+04 / !R245 CH+HCCO<=>CO+C2H2 5.000E+13 0.000 0.000E+00 REV/ 1.721E+17 0.000 1.646E+05 / !R246 C2H3+H(+M)<=>C2H4(+M) 1.360E+14 0.173 6.600E+02 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R247 C2H4(+M)<=>C2H2+H2(+M) 8.000E+12 0.440 8.877E+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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R248 C2H4+H<=>C2H3+H2 5.070E+07 1.930 1.295E+04 REV/ 1.602E+04 2.436 5.190E+03 / !R249 C2H4+O<=>CH3+HCO 8.564E+06 1.880 1.830E+02 REV/ 3.297E+02 2.602 2.614E+04 / !R250 C2H4+O<=>CH2CHO+H 4.986E+06 1.880 1.830E+02 REV/ 1.541E+09 1.201 1.878E+04 / !R251 C2H4+OH<=>C2H3+H2O 1.800E+06 2.000 2.500E+03 REV/ 6.029E+03 2.400 9.632E+03 / !R252 C2H4+CH3<=>C2H3+CH4 6.620E+00 3.700 9.500E+03 REV/ 1.908E+00 3.760 3.280E+03 / !R253 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 !R254 C2H4+CH3O<=>C2H3+CH3OH 1.200E+11 0.000 6.750E+03 !R255 C2H4+CH3O2<=>C2H3+CH3O2H 8.59 3.754 27132.0 !WJP: from reverse rate above and thermo !R256 C2H4+C2H5O2<=>C2H3+C2H5O2H 8.59 3.754 27132.0 !WJP: analogous to c2h4+ch3o2 !R257 C2H4+CH3CO3<=>C2H3+CH3CO3H 8.59 3.754 27132.0 !WJP: analogous to c2h4+ch3o2 !R258 C2H4+CH3O2<=>C2H4O1-2+CH3O 2.820E+12 0.000 1.711E+04 REV/ 3.385E+13 -0.065 4.166E+04 / !R259 C2H4+C2H5O2<=>C2H4O1-2+C2H5O 2.820E+12 0.000 1.711E+04 REV/ 7.638E+15 -0.916 4.283E+04 / !R260 C2H4+HO2<=>C2H4O1-2+OH 2.230E+12 0.000 1.719E+04 REV/ 4.280E+14 -0.364 3.750E+04 / !R261 CH+CH4<=>C2H4+H 6.000E+13 0.000 0.000E+00 REV/ 3.573E+14 0.000 5.548E+04 / !R262 CH2(S)+CH3<=>C2H4+H 2.000E+13 0.000 0.000E+00 REV/ 6.128E+19 -1.223 7.305E+04 / !R263 C2H2+H(+M)<=>C2H3(+M) 5.600E+12 0.000 2.400E+03 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R264 C2H3+O2<=>C2H2+HO2 2.120E-06 6.000 9.484E+03 REV/ 1.087E-05 5.905 2.403E+04 / !R265 C2H3+O2<=>CH2O+HCO 8.500E+28 -5.312 6.500E+03 REV/ 3.994E+27 -4.883 9.345E+04 / !R266 C2H3+O2<=>CH2CHO+O 5.500E+14 -0.611 5.260E+03 REV/ 3.000E+18 -1.386 1.630E+04 / !R267 CH3+C2H3<=>CH4+C2H2 3.920E+11 0.000 0.000E+00 REV/ 3.497E+14 -0.193 7.078E+04 / !R268 C2H3+H<=>C2H2+H2 9.640E+13 0.000 0.000E+00 REV/ 9.427E+13 0.253 6.924E+04 / !R269 C2H3+OH<=>C2H2+H2O 5.000E+12 0.000 0.000E+00 REV/ 5.184E+13 0.147 8.413E+04 / !R270 C2H+H(+M)<=>C2H2(+M) 1.000E+17 0.000 0.000E+00 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R271 C2H2+O2<=>HCCO+OH 2.000E+08 1.500 3.010E+04 REV/ 2.039E+06 1.541 3.227E+04 / !R272 O+C2H2<=>C2H+OH 4.600E+19 -1.400 2.895E+04 REV/ 3.023E+15 -0.604 -1.782E+03 / !R273 C2H2+O<=>CH2+CO 6.940E+06 2.000 1.900E+03 REV/ 4.050E+01 3.198 4.836E+04 / !R274 C2H2+O<=>HCCO+H 1.350E+07 2.000 1.900E+03 REV/ 4.755E+07 1.650 2.080E+04 / !R275 C2H2+OH<=>C2H+H2O 3.370E+07 2.000 1.400E+04 REV/ 4.524E+04 2.709 -4.280E+02 / !R276 C2H2+OH<=>CH2CO+H 3.236E+13 0.000 1.200E+04 REV/ 3.061E+17 -0.802 3.579E+04 / !R277 C2H2+OH<=>CH3+CO 4.830E-04 4.000 -2.000E+03 REV/ 3.495E-06 4.638 5.212E+04 / !R278 OH+C2H2<=>H+HCCOH 5.040E+05 2.300 1.350E+04 REV/ 3.852E+09 1.436 4.382E+03 / !R279 H+HCCOH<=>H+CH2CO 1.000E+13 0.000 0.000E+00 REV/ 9.299E+13 -0.290 3.111E+04 / !R280 C2H5OH(+M)<=>CH2OH+CH3(+M) 2.000E+23 -1.680 9.640E+04 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/ !R281 C2H5OH(+M)<=>C2H5+OH(+M) 2.400E+23 -1.620 9.954E+04 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/ !R282 C2H5OH(+M)<=>C2H4+H2O(+M) 1.320E+05 2.520 6.066E+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/ !R283 C2H5OH(+M)<=>CH3CHO+H2(+M) 7.240E+11 0.095 9.101E+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/ !R284 C2H5OH+O2<=>PC2H4OH+HO2 2.000E+13 0.000 5.280E+04 REV/ 2.192E+10 0.278 4.430E+02 / !R285 C2H5OH+O2<=>SC2H4OH+HO2 1.500E+13 0.000 5.015E+04 REV/ 1.946E+11 0.089 4.879E+03 / !R286 C2H5OH+OH<=>PC2H4OH+H2O 1.810E+11 0.400 7.170E+02 REV/ 4.012E+08 0.920 1.794E+04 / !R287 C2H5OH+OH<=>SC2H4OH+H2O 5.560E+10 0.500 -3.800E+02 REV/ 1.458E+09 0.831 2.393E+04 / !R288 C2H5OH+OH<=>C2H5O+H2O 1.500E+10 0.800 2.534E+03 REV/ 7.320E+09 0.906 1.721E+04 / !R289 C2H5OH+H<=>PC2H4OH+H2 1.880E+03 3.200 7.150E+03 REV/ 3.930E-01 3.826 9.484E+03 / !R290 C2H5OH+H<=>SC2H4OH+H2 1.790E+05 2.530 3.420E+03 REV/ 4.429E+02 2.967 1.284E+04 / !R291 C2H5OH+H<=>C2H5O+H2 5.360E+04 2.530 4.405E+03 REV/ 2.467E+03 2.742 4.188E+03 / !R292 C2H5OH+HO2<=>PC2H4OH+H2O2 2.379E+04 2.550 1.649E+04 REV/ 2.877E+03 2.481 2.827E+03 / !R293 C2H5OH+HO2<=>SC2H4OH+H2O2 6.000E+12 0.000 1.600E+04 REV/ 8.589E+12 -0.258 9.419E+03 / !R294 C2H5OH+HO2<=>C2H5O+H2O2 2.500E+12 0.000 2.400E+04 REV/ 6.658E+13 -0.483 7.782E+03 / !R295 C2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.230E+04 2.550 1.575E+04 REV/ 2.894E+04 2.036 4.880E+02 / !R296 C2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.200E+03 2.550 1.075E+04 REV/ 2.284E+05 1.847 2.574E+03 / !R297 C2H5OH+CH3O2<=>C2H5O+CH3O2H 2.500E+12 0.000 2.400E+04 REV/ 1.295E+15 -0.927 6.187E+03 / !R298 C2H5OH+O<=>PC2H4OH+OH 9.690E+02 3.230 4.658E+03 REV/ 1.052E-01 3.837 5.580E+03 / !R299 C2H5OH+O<=>SC2H4OH+OH 1.450E+05 2.470 8.760E+02 REV/ 1.862E+02 2.888 8.884E+03 / !R300 C2H5OH+O<=>C2H5O+OH 1.460E-03 4.730 1.727E+03 REV/ 3.488E-05 4.924 9.800E+01 / !R301 C2H5OH+CH3<=>PC2H4OH+CH4 3.300E+02 3.300 1.229E+04 REV/ 6.294E+01 3.480 1.616E+04 / !R302 C2H5OH+CH3<=>SC2H4OH+CH4 1.993E+01 3.370 7.634E+03 REV/ 4.498E+01 3.361 1.859E+04 / !R303 C2H5OH+CH3<=>C2H5O+CH4 2.035E+00 3.570 7.721E+03 REV/ 8.545E+01 3.336 9.044E+03 / !R304 C2H5OH+C2H5<=>PC2H4OH+C2H6 5.000E+10 0.000 1.340E+04 REV/ 6.995E+10 0.000 2.699E+04 / !R305 C2H5OH+C2H5<=>SC2H4OH+C2H6 5.000E+10 0.000 1.040E+04 REV/ 6.995E+10 0.000 2.399E+00 / !R306 PC2H4OH<=>C2H4+OH 1.047E+25 -3.990 3.039E+04 REV/ 4.170E+20 -2.840 1.240E+03 / !R307 SC2H4OH+M<=>CH3CHO+H+M 1.000E+14 0.000 2.500E+04 REV/ 2.742E+12 0.462 -4.700E+02 / !R308 O2C2H4OH<=>PC2H4OH+O2 3.900E+16 -1.000 3.000E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R309 O2C2H4OH<=>OH+CH2O+CH2O 3.125E+09 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R310 SC2H4OH+O2<=>CH3CHO+HO2 3.810E+06 2.000 1.641E+03 REV/ 2.190E+05 2.390 2.504E+04 / !R311 CH3COCH3(+M)<=>CH3CO+CH3(+M) 7.108E+21 -1.570 8.468E+04 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 !R312 CH3COCH3+OH<=>CH3COCH2+H2O 1.250E+05 2.483 4.450E+02 REV/ 8.620E+04 2.322 2.471E+04 / !R313 CH3COCH3+H<=>CH3COCH2+H2 9.800E+05 2.430 5.160E+03 REV/ 6.374E+04 2.375 1.453E+04 / !R314 CH3COCH3+O<=>CH3COCH2+OH 5.130E+11 0.211 4.890E+03 REV/ 1.732E+10 0.137 1.285E+04 / !R315 CH3COCH3+CH3<=>CH3COCH2+CH4 3.960E+11 0.000 9.784E+03 REV/ 2.350E+13 -0.501 2.069E+04 / !R316 CH3COCH3+CH3O<=>CH3COCH2+CH3OH 4.340E+11 0.000 6.460E+03 REV/ 6.060E+11 -0.268 1.606E+04 / !R317 CH3COCH3+O2<=>CH3COCH2+HO2 6.030E+13 0.000 4.850E+04 REV/ 2.057E+13 -0.403 3.181E+03 / !R318 CH3COCH3+HO2<=>CH3COCH2+H2O2 1.700E+13 0.000 2.046E+04 REV/ 6.397E+14 -0.750 1.383E+04 / !R319 CH3COCH3+CH3O2<=>CH3COCH2+CH3O2H 1.700E+13 0.000 2.046E+04 REV/ 1.245E+16 -1.195 1.223E+04 / !R320 CH3COCH2<=>CH2CO+CH3 1.000E+14 0.000 3.100E+04 REV/ 1.000E+11 0.000 6.000E+03 / !R321 CH3COCH2O2<=>CH3COCH2+O2 2.021E+15 -0.956 2.446E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R322 CH3COCH3+CH3COCH2O2<=>CH3COCH2+CH3COCH2O2H 1.000E+11 0.000 5.000E+03 REV/ 1.995E+10 0.000 1.000E+04 / !R323 CH2O+CH3COCH2O2<=>HCO+CH3COCH2O2H 1.288E+11 0.000 9.000E+03 REV/ 2.512E+10 0.000 1.010E+04 / !R324 HO2+CH3COCH2O2<=>CH3COCH2O2H+O2 1.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R325 CH3COCH2O2H<=>CH3COCH2O+OH 1.000E+16 0.000 4.300E+04 REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.) !R326 CH3COCH2O<=>CH3CO+CH2O 3.732E+20 -2.176 1.726E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R327 C2H3CHO<=>C2H3+HCO 2.003E+24 -2.135 1.034E+05 REV/ 1.810E+13 0.000 0.000E+00 / !R328 C2H3CHO+H<=>C2H3CO+H2 1.340E+13 0.000 3.300E+03 REV/ 3.311E+10 0.613 2.268E+04 / !R329 C2H3CHO+O<=>C2H3CO+OH 5.940E+12 0.000 1.868E+03 REV/ 7.618E+09 0.594 1.984E+04 / !R330 C2H3CHO+OH<=>C2H3CO+H2O 9.240E+06 1.500 -9.620E+02 REV/ 2.420E+05 2.007 3.331E+04 / !R331 C2H3CHO+O2<=>C2H3CO+HO2 1.005E+13 0.000 4.070E+04 REV/ 1.302E+11 0.265 5.391E+03 / !R332 C2H3CHO+HO2<=>C2H3CO+H2O2 3.010E+12 0.000 1.192E+04 REV/ 4.303E+12 -0.082 1.530E+04 / !R333 C2H3CHO+CH3<=>C2H3CO+CH4 2.608E+06 1.780 5.911E+03 REV/ 5.878E+06 1.947 2.683E+04 / !R334 C2H3CHO+C2H3<=>C2H3CO+C2H4 1.740E+12 0.000 8.440E+03 REV/ 1.000E+13 0.000 2.800E+04 / !R335 C2H3CHO+CH3O<=>C2H3CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 5.304E+10 0.401 2.291E+04 / !R336 C2H3CHO+CH3O2<=>C2H3CO+CH3O2H 3.010E+12 0.000 1.192E+04 REV/ 8.371E+13 -0.527 1.371E+04 / !R337 C2H3CO<=>C2H3+CO 1.370E+21 -2.179 3.941E+04 REV/ 1.510E+11 0.000 4.810E+03 / !R338 C2H5CHO<=>C2H5+HCO 1.496E+27 -3.205 8.704E+04 REV/ 1.810E+13 0.000 0.000E+00 / !R339 C2H5CHO+H<=>C2H5CO+H2 4.000E+13 0.000 4.200E+03 REV/ 2.377E+10 0.654 1.813E+04 / !R340 C2H5CHO+O<=>C2H5CO+OH 5.000E+12 0.000 1.790E+03 REV/ 1.542E+09 0.636 1.431E+04 / !R341 C2H5CHO+OH<=>C2H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 1.695E+08 1.308 2.848E+04 / !R342 C2H5CHO+CH3<=>C2H5CO+CH4 2.608E+06 1.780 5.911E+03 REV/ 1.414E+06 1.988 2.138E+04 / !R343 C2H5CHO+HO2<=>C2H5CO+H2O2 2.800E+12 0.000 1.360E+04 REV/ 9.626E+11 -0.041 1.153E+04 / !R344 C2H5CHO+CH3O<=>C2H5CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 1.276E+10 0.442 1.746E+04 / !R345 C2H5CHO+CH3O2<=>C2H5CO+CH3O2H 3.010E+12 0.000 1.192E+04 REV/ 2.013E+13 -0.485 8.260E+03 / !R346 C2H5CHO+C2H5<=>C2H5CO+C2H6 1.000E+12 0.000 8.000E+03 REV/ 6.432E+12 -0.028 1.970E+04 / !R347 C2H5CHO+C2H5O<=>C2H5CO+C2H5OH 6.026E+11 0.000 3.300E+03 REV/ 3.020E+11 0.000 1.816E+04 / !R348 C2H5CHO+C2H5O2<=>C2H5CO+C2H5O2H 3.010E+12 0.000 1.192E+04 REV/ 2.017E+13 -0.486 8.264E+03 / !R349 C2H5CHO+O2<=>C2H5CO+HO2 1.005E+13 0.000 4.070E+04 REV/ 3.131E+10 0.306 -5.800E+01 / !R350 C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H 3.010E+12 0.000 1.192E+04 REV/ 1.651E+12 0.012 1.263E+04 / !R351 C2H5CHO+C2H3<=>C2H5CO+C2H4 1.700E+12 0.000 8.440E+03 REV/ 3.198E+12 0.148 3.013E+04 / !R352 C2H5CO<=>C2H5+CO 2.460E+23 -3.208 1.755E+04 REV/ 1.510E+11 0.000 4.810E+03 / !R353 CH3OCH3(+M)<=>CH3+CH3O(+M) 7.250E+21 -0.940 8.025E+04 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 !R354 CH3OCH3+OH<=>CH3OCH2+H2O 6.324E+06 2.000 -6.517E+02 REV/ 7.853E+04 2.236 2.121E+04 / !R355 CH3OCH3+H<=>CH3OCH2+H2 7.721E+06 2.090 3.384E+03 REV/ 9.042E+03 2.432 1.036E+04 / !R356 CH3OCH3+O<=>CH3OCH2+OH 7.750E+08 1.360 2.250E+03 REV/ 4.712E+05 1.683 7.810E+03 / !R357 CH3OCH3+HO2<=>CH3OCH2+H2O2 1.680E+13 0.000 1.769E+04 REV/ 1.138E+13 -0.353 8.657E+03 / !R358 CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H 1.680E+13 0.000 1.769E+04 REV/ 2.215E+14 -0.798 7.062E+03 / !R359 CH3OCH3+CH3<=>CH3OCH2+CH4 1.445E-06 5.730 5.700E+03 REV/ 1.544E-06 5.626 1.421E+04 / !R360 CH3OCH3+O2<=>CH3OCH2+HO2 4.100E+13 0.000 4.491E+04 REV/ 2.518E+11 -0.006 -2.806E+03 / !R361 CH3OCH3+CH3O<=>CH3OCH2+CH3OH 6.020E+11 0.000 4.074E+03 REV/ 7.383E+10 -0.270 1.026E+04 / !R363 CH3OCH3+O2CHO<=>CH3OCH2+HO2CHO 4.425E+04 2.600 1.391E+04 REV/ 1.723E+06 1.746 5.832E+03 / !R364 CH3OCH3+OCHO<=>CH3OCH2+HOCHO 1.000E+13 0.000 1.769E+04 REV/ 7.195E+12 -0.314 3.313E+04 / !R365 CH3OCH2<=>CH2O+CH3 1.600E+13 0.000 2.550E+04 REV/ 2.601E+05 1.879 1.667E+04 / !R366 CH3OCH2+CH3O<=>CH3OCH3+CH2O 2.410E+13 0.000 0.000E+00 REV/ 1.250E+14 0.320 7.854E+04 / !R367 CH3OCH2+CH2O<=>CH3OCH3+HCO 5.490E+03 2.800 5.862E+03 REV/ 2.768E+04 2.745 1.408E+04 / !R368 CH3OCH2+CH3CHO<=>CH3OCH3+CH3CO 1.260E+12 0.000 8.499E+03 REV/ 7.746E+11 0.280 1.698E+04 / !R387 CH3OCHO<=>CH3OCO+H 1.325E+19 -1.000 1.001E+05 REV/ 1.000E+14 0.000 0.000E+00 / !R388 CH3OCHO(+M)<=>CH3OH+CO(+M) 1.000E+14 0.000 6.250E+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 !R389 CH3OCHO<=>CH3O+HCO 5.374E+16 -0.010 9.709E+04 REV/ 2.0e12 0.0 -1000.0 /!WJP: Estimate. kr from thermo above collisional !R390 CH3OCHO<=>CH3+OCHO 3.214E+17 -0.530 7.997E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R391 CH3OCHO+O2<=>CH3OCO+HO2 1.000E+13 0.000 4.970E+04 REV/ 2.979E+10 0.329 9.998E-01 / !R393 CH3OCHO+OH<=>CH3OCO+H2O 1.580E+07 1.800 9.340E+02 REV/ 9.519E+04 2.371 2.082E+04 / !R395 CH3OCHO+HO2<=>CH3OCO+H2O2 4.820E+03 2.600 1.391E+04 REV/ 1.585E+03 2.581 2.899E+03 / !R397 CH3OCHO+O<=>CH3OCO+OH 2.755E+05 2.450 2.830E+03 REV/ 8.126E+01 3.108 6.408E+03 / !R399 CH3OCHO+H<=>CH3OCO+H2 6.500E+05 2.400 4.471E+03 REV/ 3.693E+02 3.076 9.461E+03 / !R401 CH3OCHO+CH3<=>CH3OCO+CH4 7.550E-01 3.460 5.481E+03 REV/ 3.914E-01 3.691 1.201E+04 / !R403 CH3OCHO+CH3O<=>CH3OCO+CH3OH 5.480E+11 0.000 5.000E+03 REV/ 6.685E+09 0.464 1.022E+04 / !R405 CH3OCHO+CH3O2<=>CH3OCO+CH3O2H 4.820E+03 2.600 1.391E+04 REV/ 3.083E+04 2.137 1.304E+03 / !R407 CH3OCHO+HCO<=>CH3OCO+CH2O 5.400E+06 1.900 1.701E+04 REV/ 5.196E+05 2.290 6.806E+03 / !R410 CH3OCO<=>CH3+CO2 3.590E+14 -0.172 1.601E+04 REV/ 4.760E+07 1.540 3.470E+04 / !R411 CH3OCO<=>CH3O+CO 1.431E+15 -0.041 2.377E+04 REV/ 1.550E+06 2.020 5.730E+03 / !R413 C3H8(+M)<=>CH3+C2H5(+M) 1.290E+37 -5.840 9.738E+04 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/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ !R414 C3H8<=>NC3H7+H 3.750E+17 -0.357 1.012E+05 REV/ 1.000E+14 0.000 0.000E+00 / !R415 C3H8<=>IC3H7+H 2.377E+18 -0.671 9.868E+04 REV/ 1.000E+14 0.000 0.000E+00 / !R416 C3H8+O2<=>IC3H7+HO2 2.000E+13 0.000 4.964E+04 REV/ 1.764E+09 0.599 -1.690E+02 / !R417 C3H8+O2<=>NC3H7+HO2 6.000E+13 0.000 5.229E+04 REV/ 3.354E+10 0.285 -5.900E+01 / !R418 H+C3H8<=>H2+IC3H7 1.300E+06 2.400 4.471E+03 REV/ 2.186E+01 3.347 9.351E+03 / !R419 H+C3H8<=>H2+NC3H7 1.330E+06 2.540 6.756E+03 REV/ 1.418E+02 3.173 9.096E+03 / !R420 C3H8+O<=>IC3H7+OH 5.490E+05 2.500 3.140E+03 REV/ 4.793E+00 3.428 6.608E+03 / !R421 C3H8+O<=>NC3H7+OH 3.710E+06 2.400 5.505E+03 REV/ 2.053E+02 3.014 6.433E+03 / !R422 C3H8+OH<=>NC3H7+H2O 1.054E+10 0.970 1.586E+03 REV/ 1.191E+07 1.497 1.882E+04 / !R423 C3H8+OH<=>IC3H7+H2O 4.670E+07 1.610 -3.500E+01 REV/ 8.327E+03 2.451 1.974E+04 / !R424 C3H8+HO2<=>IC3H7+H2O2 5.880E+04 2.500 1.486E+04 REV/ 5.721E+02 2.752 3.742E+03 / !R425 C3H8+HO2<=>NC3H7+H2O2 8.100E+04 2.500 1.669E+04 REV/ 4.995E+03 2.438 3.030E+03 / !R426 CH3+C3H8<=>CH4+IC3H7 6.400E+04 2.170 7.520E+03 REV/ 9.819E+02 2.671 1.394E+04 / !R427 CH3+C3H8<=>CH4+NC3H7 9.040E-01 3.650 7.154E+03 REV/ 8.791E-02 3.837 1.103E+04 / !R428 IC3H7+C3H8<=>NC3H7+C3H8 3.000E+10 0.000 1.290E+04 REV/ 3.000E+10 0.000 1.290E+04 / !R429 C2H3+C3H8<=>C2H4+IC3H7 1.000E+11 0.000 1.040E+04 REV/ 1.310E+11 0.000 1.780E+04 / !R430 C2H3+C3H8<=>C2H4+NC3H7 1.000E+11 0.000 1.040E+04 REV/ 1.310E+11 0.000 1.780E+04 / !R431 C2H5+C3H8<=>C2H6+IC3H7 1.000E+11 0.000 1.040E+04 REV/ 3.630E+10 0.000 9.934E+03 / !R432 C2H5+C3H8<=>C2H6+NC3H7 1.000E+11 0.000 1.040E+04 REV/ 3.630E+10 0.000 9.934E+03 / !R433 C3H8+C3H5-A<=>NC3H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.372E+16 -1.330 1.340E+04 / !R434 C3H8+C3H5-A<=>IC3H7+C3H6 7.940E+11 0.000 1.620E+04 REV/ 5.372E+16 -1.330 9.095E+03 / !R435 C3H8+CH3O<=>NC3H7+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 9.182E+03 / !R436 C3H8+CH3O<=>IC3H7+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 9.182E+03 / !R437 CH3O2+C3H8<=>CH3O2H+NC3H7 8.100E+04 2.500 1.669E+04 REV/ 9.718E+04 1.993 1.435E+03 / !R438 CH3O2+C3H8<=>CH3O2H+IC3H7 5.880E+04 2.500 1.486E+04 REV/ 1.113E+04 2.307 2.147E+03 / !R439 C2H5O2+C3H8<=>C2H5O2H+NC3H7 8.100E+04 2.500 1.669E+04 REV/ 9.735E+04 1.993 1.439E+03 / !R440 C2H5O2+C3H8<=>C2H5O2H+IC3H7 5.880E+04 2.500 1.486E+04 REV/ 1.115E+04 2.307 2.151E+03 / !R441 NC3H7O2+C3H8<=>NC3H7O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 2.086E+13 -0.510 5.000E+03 / !R442 NC3H7O2+C3H8<=>NC3H7O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 3.871E+11 -0.196 4.080E+03 / !R443 IC3H7O2+C3H8<=>IC3H7O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 2.093E+13 -0.511 5.000E+03 / !R444 IC3H7O2+C3H8<=>IC3H7O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 3.885E+11 -0.197 4.080E+03 / !R445 C3H8+CH3CO3<=>IC3H7+CH3CO3H 2.000E+12 0.000 1.700E+04 REV/ 3.104E+10 0.305 8.650E+03 / !R446 C3H8+CH3CO3<=>NC3H7+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 1.673E+12 -0.009 9.570E+03 / !R447 C3H8+O2CHO<=>NC3H7+HO2CHO 5.520E+04 2.550 1.648E+04 REV/ 1.187E-08 5.540 -1.920E+03 / !R448 C3H8+O2CHO<=>IC3H7+HO2CHO 1.475E+04 2.600 1.391E+04 REV/ 7.838E-06 4.650 -3.000E+01 / !R449 IC3H7<=>H+C3H6 6.919E+13 -0.025 3.769E+04 REV/ 2.640E+13 0.000 2.160E+03 / !R450 IC3H7+H<=>C2H5+CH3 2.000E+13 0.000 0.000E+00 REV/ 4.344E+07 1.176 8.620E+03 / !R451 IC3H7+O2<=>C3H6+HO2 4.500E-19 0.000 5.020E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R452 IC3H7+OH<=>C3H6+H2O 2.410E+13 0.000 0.000E+00 REV/ 2.985E+12 0.570 8.382E+04 / !R453 IC3H7+O<=>CH3COCH3+H 4.818E+13 0.000 0.000E+00 REV/ 1.293E+16 -0.190 7.938E+04 / !R454 IC3H7+O<=>CH3CHO+CH3 4.818E+13 0.000 0.000E+00 REV/ 1.279E+11 0.800 8.648E+04 / !R455 NC3H7<=>CH3+C2H4 9.24E10 0.87 3.05E04 !R456 NC3H7<=>H+C3H6 4.14E12 0.17 3.56E04 !R457 NC3H7+O2<=>C3H6+HO2 3.000E-19 0.000 3.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R458 C2H5CHO+NC3H7<=>C2H5CO+C3H8 1.700E+12 0.000 8.440E+03 REV/ 1.900E+14 0.000 1.879E+04 / !R459 C2H5CHO+IC3H7<=>C2H5CO+C3H8 1.700E+12 0.000 8.440E+03 REV/ 1.900E+14 0.000 1.879E+04 / !R460 C2H5CHO+C3H5-A<=>C2H5CO+C3H6 1.700E+12 0.000 8.440E+03 REV/ 1.000E+13 0.000 2.800E+04 / !R461 C3H6<=>C2H3+CH3 2.730E+62 -13.280 1.232E+05 REV/ 6.822E+53 -11.779 2.055E+04 / !R462 C3H6<=>C3H5-A+H 2.010E+61 -13.260 1.185E+05 REV/ 2.041E+61 -13.520 3.061E+04 / !R463 C3H6<=>C3H5-S+H 7.710E+69 -16.090 1.400E+05 REV/ 2.551E+67 -15.867 2.869E+04 / !R464 C3H6<=>C3H5-T+H 5.620E+71 -16.580 1.393E+05 REV/ 4.260E+68 -16.164 3.008E+04 / !R465 C3H6+O<=>C2H5+HCO 1.580E+07 1.760 -1.216E+03 REV/ 9.188E+01 2.725 2.311E+04 / !R466 C3H6+O<=>CH2CO+CH3+H 2.500E+07 1.760 7.600E+01 REV/ 0.000E+00 0.000 0.000E+00 / !R467 C3H6+O=>CH3CHCO+H+H 2.500E+07 1.760 7.600E+01 ! WJP: kr from thermo above collisional for this global rxn !R468 C3H6+O<=>C3H5-A+OH 5.240E+11 0.700 5.884E+03 REV/ 1.104E+11 0.697 2.015E+04 / !R469 C3H6+O<=>C3H5-S+OH 1.200E+11 0.700 8.959E+03 REV/ 8.239E+07 1.180 -2.070E+02 / !R470 C3H6+O<=>C3H5-T+OH 6.030E+10 0.700 7.632E+03 REV/ 9.483E+06 1.373 5.760E+02 / !R471 C3H6+OH<=>C3H5-A+H2O 3.120E+06 2.000 -2.980E+02 REV/ 1.343E+07 1.909 3.027E+04 / !R472 C3H6+OH<=>C3H5-S+H2O 2.110E+06 2.000 2.778E+03 REV/ 2.959E+04 2.393 9.916E+03 / !R473 C3H6+OH<=>C3H5-T+H2O 1.110E+06 2.000 1.451E+03 REV/ 3.565E+03 2.586 1.070E+04 / !R474 C3H6+HO2<=>C3H5-A+H2O2 2.700E+04 2.500 1.234E+04 REV/ 6.341E+06 1.820 1.201E+04 / !R475 C3H6+HO2<=>C3H5-S+H2O2 1.800E+04 2.500 2.762E+04 REV/ 1.377E+04 2.304 3.864E+03 / !R476 C3H6+HO2<=>C3H5-T+H2O2 9.000E+03 2.500 2.359E+04 REV/ 1.577E+03 2.497 1.941E+03 / !R477 C3H6+H<=>C3H5-A+H2 1.730E+05 2.500 2.492E+03 REV/ 7.023E+04 2.515 1.817E+04 / !R478 C3H6+H<=>C3H5-S+H2 8.040E+05 2.500 1.228E+04 REV/ 1.063E+03 2.999 4.526E+03 / !R479 C3H6+H<=>C3H5-T+H2 4.050E+05 2.500 9.794E+03 REV/ 1.227E+02 3.192 4.150E+03 / !R480 C3H6+H<=>C2H4+CH3 2.300E+13 0.000 2.547E+03 REV/ 7.272E+07 1.271 1.120E+04 / !R481 C3H6+O2<=>C3H5-A+HO2 4.000E+12 0.000 3.990E+04 REV/ 8.514E+12 -0.333 8.870E+02 / !R482 C3H6+O2<=>C3H5-S+HO2 2.000E+12 0.000 6.290E+04 REV/ 1.387E+10 0.151 4.590E+02 / !R483 C3H6+O2<=>C3H5-T+HO2 1.400E+12 0.000 6.070E+04 REV/ 2.224E+09 0.344 3.690E+02 / !R484 C3H6+CH3<=>C3H5-A+CH4 2.210E+00 3.500 5.675E+03 REV/ 8.184E+02 3.070 2.289E+04 / !R485 C3H6+CH3<=>C3H5-S+CH4 1.348E+00 3.500 1.285E+04 REV/ 1.626E+00 3.553 6.635E+03 / !R486 C3H6+CH3<=>C3H5-T+CH4 8.400E-01 3.500 1.166E+04 REV/ 2.322E-01 3.746 7.552E+03 / !R487 C3H6+C2H5<=>C3H5-A+C2H6 1.000E+11 0.000 9.800E+03 REV/ 5.369E+05 1.330 1.644E+04 / !R488 C3H6+CH3CO3<=>C3H5-A+CH3CO3H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R489 C3H6+CH3O2<=>C3H5-A+CH3O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R490 C3H6+HO2<=>C3H6O1-2+OH 1.290E+12 0.000 1.490E+04 REV/ 1.000E-10 0.000 0.000E+00 / !R491 C3H6+C2H5O2<=>C3H5-A+C2H5O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R492 C3H6+NC3H7O2<=>C3H5-A+NC3H7O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R493 C3H6+IC3H7O2<=>C3H5-A+IC3H7O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R494 C3H6OH<=>C3H6+OH 4.343E+15 -0.805 2.790E+04 REV/ 9.930E+11 0.000 -9.600E+02 / !R495 HOC3H6O2<=>C3H6OH+O2 2.873E+19 -1.897 3.429E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R496 HOC3H6O2<=>CH3CHO+CH2O+OH 1.250E+10 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R497 C3H5-A<=>C2H2+CH3 2.397E+48 -9.900 8.208E+04 REV/ 2.610E+46 -9.820 3.695E+04 / !R498 C3H5-A<=>C3H4-A+H 4.194E+13 0.216 6.193E+04 REV/ 2.400E+11 0.690 3.007E+03 / !R499 C3H5-A+HO2<=>C3H5O+OH 7.000E+12 0.000 -1.000E+03 REV/ 1.605E+12 0.060 1.166E+04 / !R500 C3H5-A+CH3O2<=>C3H5O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.990E+15 -0.740 1.702E+04 / !R501 C3H5-A+H<=>C3H4-A+H2 1.232E+03 3.035 2.582E+03 REV/ 2.818E+00 3.784 4.722E+04 / !R502 C3H5-A+CH3<=>C3H4-A+CH4 1.000E+11 0.000 0.000E+00 REV/ 4.921E+12 0.050 4.778E+04 / !R503 C3H5-A+C2H5<=>C2H6+C3H4-A 4.000E+11 0.000 0.000E+00 REV/ 1.802E+12 0.050 4.033E+04 / !R504 C3H5-A+C2H5<=>C2H4+C3H6 4.000E+11 0.000 0.000E+00 REV/ 6.937E+16 -1.330 5.280E+04 / !R505 C3H5-A+C2H3<=>C2H4+C3H4-A 1.000E+12 0.000 0.000E+00 REV/ 1.624E+13 0.050 4.819E+04 / !R506 C3H4-A+C3H6<=>C3H5-A+C3H5-A 4.749E+08 0.734 2.870E+04 REV/ 8.430E+10 0.000 -2.620E+02 / !R507 C3H5-A+O2<=>C3H4-A+HO2 2.180E+21 -2.850 3.076E+04 REV/ 2.614E+19 -2.449 2.071E+04 / !R508 C3H5-A+O2<=>CH2CHO+CH2O 7.140E+15 -1.210 2.105E+04 REV/ 4.944E+16 -1.400 8.862E+04 / !R509 C3H5-A+O2<=>C2H3CHO+OH 2.470E+13 -0.440 2.302E+04 REV/ 1.989E+13 -0.609 7.514E+04 / !R510 C3H5-A+O2<=>C2H2+CH2O+OH 9.720E+29 -5.710 2.145E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R511 C3H5-S<=>C2H2+CH3 9.598E+39 -8.170 4.203E+04 REV/ 1.610E+40 -8.580 2.033E+04 / !R512 C3H5-S<=>C3H4-P+H 4.187E+15 -0.790 3.748E+04 REV/ 5.800E+12 0.000 3.100E+03 / !R513 C3H5-S+O2<=>CH3CHO+HCO 4.335E+12 0.000 0.000E+00 REV/ 1.611E+17 -1.270 9.653E+04 / !R514 C3H5-S+H<=>C3H4-A+H2 3.333E+12 0.000 0.000E+00 REV/ 7.977E+12 0.110 6.886E+04 / !R515 C3H5-S+CH3<=>C3H4-A+CH4 1.000E+11 0.000 0.000E+00 REV/ 6.253E+12 0.110 6.934E+04 / !R516 C3H5-T<=>C2H2+CH3 2.163E+40 -8.310 4.511E+04 REV/ 1.610E+40 -8.580 2.033E+04 / !R517 C3H5-T<=>C3H4-A+H 3.508E+14 -0.440 4.089E+04 REV/ 8.500E+12 0.000 2.000E+03 / !R518 C3H5-T<=>C3H4-P+H 1.075E+15 -0.600 3.849E+04 REV/ 6.500E+12 0.000 2.000E+03 / !R519 C3H5-T+O2<=>C3H4-A+HO2 1.890E+30 -5.590 1.554E+04 REV/ 3.037E+31 -5.865 2.681E+04 / !R520 C3H5-T+O2<=>CH3COCH2+O 3.810E+17 -1.360 5.580E+03 REV/ 2.000E+11 0.000 1.750E+04 / !R521 C3H5-T+O2<=>CH2O+CH3CO 3.710E+25 -3.960 7.043E+03 REV/ 1.872E+27 -4.430 1.012E+05 / !R522 C3H5-T+H<=>C3H4-P+H2 3.333E+12 0.000 0.000E+00 REV/ 2.138E+16 -0.880 7.105E+04 / !R523 C3H5-T+CH3<=>C3H4-P+CH4 1.000E+11 0.000 0.000E+00 REV/ 1.676E+16 -0.880 7.153E+04 / !R524 C3H4-A+M<=>C3H3+H+M 1.143E+17 0.000 7.000E+04 REV / 2.0e17 0.0 -1000.0 / !WJP: Est. kr from thermo above collisonal. !R525 C3H4-A<=>C3H4-P 1.202E+15 0.000 9.240E+04 REV/ 3.222E+18 -0.990 9.659E+04 / !R526 C3H4-A+O2<=>C3H3+HO2 4.000E+13 0.000 3.916E+04 REV/ 3.170E+11 -0.086 3.110E+02 / !R527 C3H4-A+HO2<=>CH2CO+CH2+OH 4.000E+12 0.000 1.900E+04 REV/ 1.000E+00 0.000 0.000E+00 / !R528 C3H4-A+OH<=>CH2CO+CH3 3.120E+12 0.000 -3.970E+02 REV/ 1.806E+17 -1.380 3.607E+04 / !R529 C3H4-A+OH<=>C3H3+H2O 1.000E+07 2.000 1.000E+03 REV/ 1.602E+05 2.157 3.173E+04 / !R530 C3H4-A+O<=>C2H4+CO 7.800E+12 0.000 1.600E+03 REV/ 3.269E+08 1.252 1.219E+05 / !R531 C3H4-A+O<=>C2H2+CH2O 3.000E-03 4.610 -4.243E+03 REV/ 2.320E+02 3.230 8.119E+04 / !R532 C3H4-A+H<=>C3H3+H2 2.000E+07 2.000 5.000E+03 REV/ 3.022E+04 2.262 2.084E+04 / !R533 C3H4-A+CH3<=>C3H3+CH4 3.670E-02 4.010 6.830E+03 REV/ 5.060E-02 3.826 2.421E+04 / !R534 C3H4-A+C3H5-A<=>C3H3+C3H6 2.000E+11 0.000 7.700E+03 REV/ 2.644E+19 -2.710 4.214E+04 / !R535 C3H4-A+C2H<=>C3H3+C2H2 1.000E+13 0.000 0.000E+00 REV/ 1.420E+16 -1.380 5.382E+04 / !R536 C3H4-P+M<=>C3H3+H+M 1.143E+17 0.000 7.000E+04 REV / 2.0e17 0.0 -1000.0 / !WJP: Est. kr from thermo above collisonal. !R537 C3H4-P<=>C2H+CH3 4.200E+16 0.000 1.000E+05 REV/ 1.018E+12 0.610 -1.600E+03 / !R538 C3H4-P+O2<=>HCCO+OH+CH2 1.000E+07 1.500 3.010E+04 REV/ 1.000E+00 0.000 0.000E+00 / !R539 C3H4-P+O2<=>C3H3+HO2 2.000E+13 0.000 4.160E+04 REV/ 6.371E+11 -0.208 1.021E+03 / !R540 C3H4-P+HO2<=>C2H4+CO+OH 3.000E+12 0.000 1.900E+04 REV/ 1.000E+00 0.000 0.000E+00 / !R541 C3H4-P+OH<=>C3H3+H2O 1.000E+07 2.000 1.000E+03 REV/ 6.441E+05 2.034 3.000E+04 / !R542 C3H4-P+OH<=>CH2CO+CH3 5.000E-04 4.500 -1.000E+03 REV/ 1.079E-02 4.110 3.128E+04 / !R543 C3H4-P+O<=>C2H3+HCO 3.200E+12 0.000 2.010E+03 REV/ 2.548E+12 -0.390 3.235E+04 / !R544 C3H4-P+O<=>HCCO+CH3 9.600E+08 1.000 0.000E+00 REV/ 1.430E+04 1.793 2.699E+04 / !R545 C3H4-P+O=>HCCO+CH2+H 3.200E-19 0.000 2.010E+03 !Reverse from thermo is severely above collisional !R546 C3H4-P+O<=>C3H3+OH 7.650E+08 1.500 8.600E+03 REV/ 2.177E+08 1.310 2.247E+04 / !R547 C3H4-P+H<=>C3H3+H2 2.000E+07 2.000 5.000E+03 REV/ 1.215E+05 2.140 1.911E+04 / !R548 C3H4-P+CH3<=>C3H3+CH4 1.500E+00 3.500 5.600E+03 REV/ 8.313E+00 3.195 2.125E+04 / !R549 C3H4-P+C2H<=>C3H3+C2H2 1.000E+12 0.000 0.000E+00 REV/ 5.297E+11 -0.390 4.963E+04 / !R550 C3H4-P+C2H3<=>C3H3+C2H4 1.000E+12 0.000 7.700E+03 REV/ 9.541E+11 -0.390 5.245E+04 / !R551 C3H4-P+C3H5-A<=>C3H3+C3H6 1.000E+12 0.000 7.700E+03 REV/ 4.931E+16 -1.730 3.795E+04 / !R552 C3H3+O<=>CH2O+C2H 1.000E+13 0.000 0.000E+00 REV/ 5.446E+14 0.000 3.161E+04 / !R553 C3H3+OH<=>C3H2+H2O 1.000E+13 0.000 0.000E+00 REV/ 1.343E+15 0.000 1.568E+04 / !R554 C3H3+O2<=>CH2CO+HCO 3.010E+10 0.000 2.870E+03 REV/ 4.881E+11 0.000 5.947E+04 / !R555 C3H3+CH3<=>C2H5+C2H 4.299E+15 -0.790 4.563E+04 REV/ 1.810E+13 0.000 0.000E+00 / !R556 C3H2+O2<=>HCO+HCCO 5.000E+13 0.000 0.000E+00 REV/ 2.326E+14 -0.214 7.719E+04 / !R557 C3H4-A+HO2<=>C2H4+CO+OH 1.000E+12 0.000 1.400E+04 REV/ 1.000E+00 0.000 0.000E+00 / !R558 C3H4-A+HO2<=>C3H3+H2O2 3.000E+13 0.000 1.400E+04 REV/ 1.551E+16 -1.380 4.400E+04 / !R559 C2H2+CH3<=>C3H4-P+H 4.229E+08 1.143 1.209E+04 REV/ 1.000E+14 0.000 4.000E+03 / !R560 C2H2+CH3<=>C3H4-A+H 6.740E+19 -2.080 3.159E+04 REV/ 6.407E+25 -3.345 2.177E+04 / !R561 C3H3+H<=>C3H2+H2 5.000E+13 0.000 0.000E+00 REV/ 5.999E+07 1.365 4.110E+03 / !R562 C3H2+OH<=>C2H2+HCO 5.000E+13 0.000 0.000E+00 REV/ 2.282E+16 -0.254 7.502E+04 / !R563 C3H2+O2<=>HCCO+CO+H 5.000E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R564 CH3CHCO+OH<=>C2H5+CO2 1.730E+12 0.000 -1.010E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R565 CH3CHCO+OH<=>SC2H4OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R566 CH3CHCO+H<=>C2H5+CO 4.400E+12 0.000 1.459E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R567 CH3CHCO+O<=>CH3CHO+CO 3.200E+12 0.000 -4.370E+02 REV/ 0.000E+00 0.000 0.000E+00 / !R568 NC3H7+HO2<=>NC3H7O+OH 7.000E+12 0.000 -1.000E+03 REV/ 6.220E+15 -0.692 2.531E+04 / !R569 IC3H7+HO2<=>IC3H7O+OH 7.000E+12 0.000 -1.000E+03 REV/ 1.051E+16 -0.557 2.732E+04 / !R570 CH3O2+NC3H7<=>CH3O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 3.890E+14 -0.394 2.955E+04 / !R571 CH3O2+IC3H7<=>CH3O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 6.573E+14 -0.258 3.156E+04 / !R572 NC3H7O2<=>NC3H7+O2 2.400E+20 -1.616 3.596E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R573 IC3H7O2<=>IC3H7+O2 3.132E+22 -2.167 3.816E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R574 NC3H7O2+CH2O<=>NC3H7O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / !R575 NC3H7O2+CH3CHO<=>NC3H7O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R576 IC3H7O2+CH2O<=>IC3H7O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / !R577 IC3H7O2+CH3CHO<=>IC3H7O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R578 NC3H7O2+HO2<=>NC3H7O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.841E+13 -0.795 3.361E+04 / !R579 IC3H7O2+HO2<=>IC3H7O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.855E+13 -0.796 3.361E+04 / !R580 C2H4+NC3H7O2<=>C2H3+NC3H7O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / !R581 C2H4+IC3H7O2<=>C2H3+IC3H7O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / !R582 CH3OH+NC3H7O2<=>CH2OH+NC3H7O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / !R583 CH3OH+IC3H7O2<=>CH2OH+IC3H7O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / !R584 C2H3CHO+NC3H7O2<=>C2H3CO+NC3H7O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R585 C2H3CHO+IC3H7O2<=>C2H3CO+IC3H7O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R586 CH4+NC3H7O2<=>CH3+NC3H7O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / !R587 CH4+IC3H7O2<=>CH3+IC3H7O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / !R588 NC3H7O2+CH3O2<=>NC3H7O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R589 IC3H7O2+CH3O2<=>IC3H7O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R590 H2+NC3H7O2<=>H+NC3H7O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / !R591 H2+IC3H7O2<=>H+IC3H7O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / !R592 IC3H7O2+C2H6<=>IC3H7O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R593 NC3H7O2+C2H6<=>NC3H7O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R594 IC3H7O2+C2H5CHO<=>IC3H7O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / !R595 NC3H7O2+C2H5CHO<=>NC3H7O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / !R596 IC3H7O2+CH3CO3<=>IC3H7O+CH3CO2+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R597 NC3H7O2+CH3CO3<=>NC3H7O+CH3CO2+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R598 IC3H7O2+C2H5O2<=>IC3H7O+C2H5O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R599 NC3H7O2+C2H5O2<=>NC3H7O+C2H5O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R600 IC3H7O2+IC3H7O2<=>O2+IC3H7O+IC3H7O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R601 NC3H7O2+NC3H7O2<=>O2+NC3H7O+NC3H7O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R602 IC3H7O2+NC3H7O2<=>IC3H7O+NC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R603 IC3H7O2+CH3<=>IC3H7O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.145E+11 0.695 2.672E+04 / !R604 IC3H7O2+C2H5<=>IC3H7O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.628E+13 0.094 2.913E+04 / !R605 IC3H7O2+IC3H7<=>IC3H7O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 2.778E+13 0.261 2.980E+04 / !R606 IC3H7O2+NC3H7<=>IC3H7O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.644E+13 0.125 2.780E+04 / !R607 IC3H7O2+C3H5-A<=>IC3H7O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 4.242E+09 0.877 1.414E+04 / !R608 NC3H7O2+CH3<=>NC3H7O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 5.303E+12 0.009 2.692E+04 / !R609 NC3H7O2+C2H5<=>NC3H7O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 7.540E+14 -0.592 2.933E+04 / !R610 NC3H7O2+IC3H7<=>NC3H7O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.286E+15 -0.425 3.000E+04 / !R611 NC3H7O2+NC3H7<=>NC3H7O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 7.612E+14 -0.561 2.800E+04 / !R612 NC3H7O2+C3H5-A<=>NC3H7O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.964E+11 0.191 1.434E+04 / !R613 NC3H7O2H<=>NC3H7O+OH 1.500E+16 0.000 4.250E+04 REV/ 1.143E+08 1.719 -4.034E+03 / !R614 IC3H7O2H<=>IC3H7O+OH 9.450E+15 0.000 4.260E+04 REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.) !R615 NC3H7O<=>C2H5+CH2O 2.716E+21 -2.449 1.570E+04 REV/ 1.000E+11 0.000 3.496E+03 / !R616 NC3H7O<=>C2H5CHO+H 8.899E+10 0.746 1.980E+04 REV/ 4.000E+12 0.000 6.260E+03 / !R617 IC3H7O<=>CH3+CH3CHO 5.328E+19 -1.696 1.714E+04 REV/ 1.000E+11 0.000 9.256E+03 / !R618 IC3H7O<=>CH3COCH3+H 8.663E+14 -0.483 2.008E+04 REV/ 2.000E+12 0.000 7.270E+03 / !R619 IC3H7O+O2<=>CH3COCH3+HO2 9.090E+09 0.000 3.900E+02 REV/ 1.000E+11 0.000 3.200E+04 / !R620 NC3H7O2<=>C3H6OOH1-2 6.000E+11 0.000 2.685E+04 REV/ 1.117E+08 0.583 1.172E+04 / !R621 NC3H7O2<=>C3H6OOH1-3 1.125E+11 0.000 2.440E+04 REV/ 2.716E+11 -0.507 8.936E+03 / !R622 IC3H7O2<=>C3H6OOH2-1 1.800E+12 0.000 2.940E+04 REV/ 1.122E+10 0.119 1.181E+04 / !R624 C3H6OOH1-2<=>C3H6O1-2+OH 6.000E+11 0.000 2.200E+04 REV/ 1.150E+11 0.490 3.837E+04 / !R625 C3H6OOH1-3<=>C3H6O1-3+OH 7.500E+10 0.000 1.525E+04 REV/ 1.186E+06 1.765 2.871E+04 / !R626 C3H6OOH2-1<=>C3H6O1-2+OH 6.000E+11 0.000 2.200E+04 REV/ 2.780E+08 1.191 3.609E+04 / !R627 C3H6OOH1-2<=>C3H6+HO2 7.834E+15 -1.300 1.595E+04 REV/ 1.000E+11 0.000 1.100E+04 / !R628 C3H6OOH2-1<=>C3H6+HO2 3.239E+18 -2.000 1.897E+04 REV/ 1.000E+11 0.000 1.175E+04 / !R629 C3H6OOH1-3<=>OH+CH2O+C2H4 3.035E+15 -0.790 2.740E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R631 C3H6OOH1-2<=>C2H4+CH2O+OH 1.310E+33 -7.010 4.812E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R633 C3H6OOH1-2O2<=>C3H6OOH1-2+O2 2.391E+25 -2.945 4.010E+04 REV/ 5.000E+12 0.000 0.000E+00 / !R634 C3H6OOH1-3O2<=>C3H6OOH1-3+O2 2.853E+20 -1.626 3.569E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R635 C3H6OOH2-1O2<=>C3H6OOH2-1+O2 5.227E+22 -2.244 3.782E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R636 C3H6OOH1-2O2<=>C3KET12+OH 6.000E+11 0.000 2.640E+04 REV/ 9.249E+04 1.329 4.892E+04 / !R637 C3H6OOH1-3O2<=>C3KET13+OH 7.500E+10 0.000 2.140E+04 REV/ 4.101E+03 1.496 4.474E+04 / !R638 C3H6OOH2-1O2<=>C3KET21+OH 3.000E+11 0.000 2.385E+04 REV/ 1.397E+03 1.834 4.975E+04 / !R644 C3KET12<=>CH3CHO+HCO+OH 9.450E+15 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R645 C3KET13<=>CH2O+CH2CHO+OH 1.000E+16 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R646 C3KET21<=>CH2O+CH3CO+OH 1.000E+16 0.000 4.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R647 AC3H5OOH<=>C3H5O+OH 3.880E+19 -1.460 4.537E+04 REV/ 2.000E+13 0.000 0.000E+00 / !R648 C3H5O<=>C2H3CHO+H 1.000E+14 0.000 2.910E+04 REV/ 1.676E+14 -0.156 1.969E+04 / !R649 C3H5O<=>C2H3+CH2O 1.464E+20 -1.968 3.509E+04 REV/ 1.500E+11 0.000 1.060E+04 / !R650 C3H5O+O2<=>C2H3CHO+HO2 1.000E+12 0.000 6.000E+03 REV/ 1.288E+11 0.000 3.200E+04 / !R652 C3H6O1-2<=>C2H4+CH2O 6.000E+14 0.000 6.000E+04 REV/ 2.970E+11 1.000 3.108E+04 / !R653 C3H6O1-2+OH<=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R654 C3H6O1-2+H<=>CH2O+C2H3+H2 2.630E+07 2.000 5.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R655 C3H6O1-2+O<=>CH2O+C2H3+OH 8.430E+13 0.000 5.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R656 C3H6O1-2+HO2=>CH2O+C2H3+H2O2 1.000E+13 0.000 1.500E+04 !Reverse rate from thermo above collisional. !R657 C3H6O1-2+CH3O2<=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R658 C3H6O1-2+CH3<=>CH2O+C2H3+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R659 C3H6O1-3<=>C2H4+CH2O 6.000E+14 0.000 6.000E+04 REV/ 2.970E+11 0.000 3.108E+04 / !R660 C3H6O1-3+OH<=>CH2O+C2H3+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R661 C3H6O1-3+O<=>CH2O+C2H3+OH 8.430E+13 0.000 5.200E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R662 C3H6O1-3+H<=>CH2O+C2H3+H2 2.630E+07 2.000 5.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R663 C3H6O1-3+CH3O2<=>CH2O+C2H3+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R664 C3H6O1-3+HO2<=>CH2O+C2H3+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R665 C3H6O1-3+CH3<=>CH2O+C2H3+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R666 IC3H7O2<=>C3H6+HO2 1.015E+43 -9.409 4.149E+04 REV/ 1.954E+33 -7.289 1.667E+04 / !R667 NC3H7O2<=>C3H6+HO2 5.044E+38 -8.112 4.049E+04 REV/ 1.198E+30 -6.229 2.042E+04 / !R668 C4H10(+M)<=>C2H5+C2H5(+M) 2.720E+15 0.000 7.561E+04 LOW / 4.7200E+18 0.0000E+00 4.9576E+04 / TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / !Troe Fall-off reaction !R669 C4H10(+M)<=>NC3H7+CH3(+M) 4.280E+14 0.000 6.990E+04 LOW / 5.3400E+17 0.0000E+00 4.2959E+04 / TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 / !Troe Fall-off reaction !R670 C4H10<=>PC4H9+H 1.344E+17 -0.356 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / !R671 C4H10<=>SC4H9+H 1.975E+18 -0.694 9.872E+04 REV/ 3.610E+13 0.000 0.000E+00 / !R672 C4H10+O2<=>PC4H9+HO2 6.000E+13 0.000 5.234E+04 REV/ 3.377E+10 0.284 -1.900E+01 / !R673 C4H10+O2<=>SC4H9+HO2 4.000E+13 0.000 4.980E+04 REV/ 1.532E+09 0.622 -4.900E+01 / !R674 C4H10+C3H5-A<=>PC4H9+C3H6 7.940E+11 0.000 2.050E+04 REV/ 1.000E+12 0.000 2.000E+04 / !R675 C4H10+C3H5-A<=>SC4H9+C3H6 3.160E+11 0.000 1.640E+04 REV/ 1.000E+12 0.000 2.000E+04 / !R676 C4H10+C2H5<=>PC4H9+C2H6 1.580E+11 0.000 1.230E+04 REV/ 3.560E+10 0.000 1.292E+04 / !R677 C4H10+C2H5<=>SC4H9+C2H6 1.000E+11 0.000 1.040E+04 REV/ 7.120E+10 0.000 9.917E+03 / !R678 C4H10+C2H3<=>PC4H9+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.570E+12 0.000 2.538E+04 / !R679 C4H10+C2H3<=>SC4H9+C2H4 8.000E+11 0.000 1.680E+04 REV/ 2.050E+12 0.000 2.418E+04 / !R680 C4H10+CH3<=>PC4H9+CH4 9.040E-01 3.650 7.154E+03 REV/ 8.853E-02 3.836 1.102E+04 / !R681 C4H10+CH3<=>SC4H9+CH4 3.020E+00 3.460 5.481E+03 REV/ 2.013E-02 3.984 1.186E+04 / !R682 C4H10+H<=>PC4H9+H2 1.880E+05 2.750 6.280E+03 REV/ 2.018E+01 3.382 8.610E+03 / !R683 C4H10+H<=>SC4H9+H2 2.600E+06 2.400 4.471E+03 REV/ 1.900E+01 3.370 9.311E+03 / !R684 C4H10+OH<=>PC4H9+H2O 1.054E+10 0.970 1.586E+03 REV/ 1.200E+07 1.496 1.881E+04 / !R685 C4H10+OH<=>SC4H9+H2O 9.340E+07 1.610 -3.500E+01 REV/ 7.235E+03 2.474 1.970E+04 / !R686 C4H10+O<=>PC4H9+OH 1.130E+14 0.000 7.850E+03 REV/ 1.480E+13 0.000 1.224E+04 / !R687 C4H10+O<=>SC4H9+OH 5.620E+13 0.000 5.200E+03 REV/ 7.350E+12 0.000 9.590E+03 / !R688 C4H10+HO2<=>PC4H9+H2O2 4.080E+01 3.590 1.716E+04 REV/ 2.534E+00 3.527 3.490E+03 / !R689 C4H10+HO2<=>SC4H9+H2O2 1.264E+02 3.370 1.372E+04 REV/ 5.343E-01 3.645 2.558E+03 / !R690 C4H10+CH3O<=>PC4H9+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.220E+10 0.000 5.000E+04 / !R691 C4H10+CH3O<=>SC4H9+CH3OH 6.000E+11 0.000 7.000E+03 REV/ 2.441E+10 0.000 5.000E+04 / !R692 C4H10+C2H5O<=>PC4H9+C2H5OH 3.000E+11 0.000 7.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / !R693 C4H10+C2H5O<=>SC4H9+C2H5OH 6.000E+11 0.000 7.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / !R694 C4H10+PC4H9<=>SC4H9+C4H10 1.000E+11 0.000 1.040E+04 REV/ 1.500E+11 0.000 1.230E+04 / !R695 C4H10+CH3CO3<=>PC4H9+CH3CO3H 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R696 C4H10+CH3CO3<=>SC4H9+CH3CO3H 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R697 C4H10+O2CHO<=>PC4H9+HO2CHO 1.680E+13 0.000 2.044E+04 REV/ 3.680E+00 2.990 2.505E+03 / !R698 C4H10+O2CHO<=>SC4H9+HO2CHO 1.120E+13 0.000 1.769E+04 REV/ 7.595E+03 2.060 4.266E+03 / !R699 CH3O2+C4H10<=>CH3O2H+PC4H9 1.386E+00 3.970 1.828E+04 REV/ 1.675E+00 3.462 3.016E+03 / !R700 CH3O2+C4H10<=>CH3O2H+SC4H9 2.037E+01 3.580 1.481E+04 REV/ 1.675E+00 3.410 2.050E+03 / !R701 C2H5O2+C4H10<=>C2H5O2H+PC4H9 4.080E+01 3.590 1.716E+04 REV/ 4.938E+01 3.082 1.899E+03 / !R702 C2H5O2+C4H10<=>C2H5O2H+SC4H9 1.264E+02 3.370 1.372E+04 REV/ 1.041E+01 3.200 9.670E+02 / !R703 NC3H7O2+C4H10<=>NC3H7O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R704 NC3H7O2+C4H10<=>NC3H7O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R705 IC3H7O2+C4H10<=>IC3H7O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R706 IC3H7O2+C4H10<=>IC3H7O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R707 PC4H9O2+C3H8<=>PC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R708 PC4H9O2+C3H8<=>PC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R709 PC4H9O2+C4H10<=>PC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R710 PC4H9O2+C4H10<=>PC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R715 PC4H9<=>C2H5+C2H4 3.504E+12 0.463 2.947E+04 REV/ 1.320E+04 2.480 6.130E+03 / !R716 SC4H9<=>C3H6+CH3 4.803E+10 1.044 3.035E+04 REV/ 1.760E+04 2.480 6.130E+03 / !R717 PC4H9<=>C4H8-1+H 2.622E+12 0.253 3.570E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R718 SC4H9<=>C4H8-2+H 2.844E+11 0.337 3.552E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R719 SC4H9<=>C4H8-1+H 3.027E+11 0.591 3.682E+04 REV/ 4.240E+11 0.510 1.230E+03 / !R720 PC4H9+O2<=>C4H8-1+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R721 SC4H9+O2<=>C4H8-1+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R722 SC4H9+O2<=>C4H8-2+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R723 C4H8-1<=>C3H5-A+CH3 5.081E+19 -1.256 7.651E+04 REV/ 1.350E+13 0.000 0.000E+00 / !R724 C4H8-1<=>C2H3+C2H5 2.882E+23 -1.990 1.016E+05 REV/ 9.000E+12 0.000 0.000E+00 / !R725 C4H8-1<=>H+C4H71-3 3.724E+14 -0.111 8.520E+04 REV/ 5.000E+13 0.000 0.000E+00 / !R726 C4H8-1+O2<=>C4H71-3+HO2 2.000E+13 0.000 3.719E+04 REV/ 4.653E+12 0.070 -1.680E+02 / !R727 C4H8-1+H<=>C4H71-1+H2 7.810E+05 2.500 1.229E+04 REV/ 2.213E+05 2.360 6.469E+03 / !R728 C4H8-1+H<=>C4H71-2+H2 3.900E+05 2.500 5.821E+03 REV/ 2.558E+04 2.550 2.125E+03 / !R729 C4H8-1+H<=>C4H71-3+H2 3.376E+05 2.360 2.070E+02 REV/ 4.323E+06 2.100 2.033E+04 / !R730 C4H8-1+H<=>C4H71-4+H2 6.651E+05 2.540 6.756E+03 REV/ 3.045E+04 2.540 1.103E+04 / !R731 C4H8-1+OH<=>C4H71-1+H2O 2.140E+06 2.000 2.778E+03 REV/ 2.625E+06 1.860 1.212E+04 / !R732 C4H8-1+OH<=>C4H71-2+H2O 2.220E+06 2.000 1.451E+03 REV/ 6.304E+05 2.050 1.291E+04 / !R733 C4H8-1+OH<=>C4H71-3+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.532E+06 2.380 3.336E+04 / !R734 C4H8-1+OH<=>C4H71-4+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.044E+09 0.970 2.101E+04 / !R735 C4H8-1+CH3<=>C4H71-3+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.234E+03 3.050 2.461E+04 / !R736 C4H8-1+CH3<=>C4H71-4+CH4 4.520E-01 3.650 7.154E+03 REV/ 5.405E-01 3.650 1.191E+04 / !R737 C4H8-1+HO2<=>C4H71-3+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.586E+06 1.960 1.435E+04 / !R738 C4H8-1+HO2<=>C4H71-4+H2O2 2.380E+03 2.550 1.649E+04 REV/ 2.800E+03 2.220 4.460E+03 / !R739 C4H8-1+CH3O2<=>C4H71-3+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.303E+06 1.790 1.133E+04 / !R740 C4H8-1+CH3O2<=>C4H71-4+CH3O2H 2.380E+03 2.550 1.649E+04 REV/ 5.831E+03 2.040 1.440E+03 / !R741 C4H8-1+CH3O<=>C4H71-3+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.470E+02 2.670 2.700E+04 / !R742 C4H8-1+CH3O<=>C4H71-4+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 4.789E+09 0.020 9.002E+03 / !R743 C4H8-1+CH3CO3<=>C4H71-3+CH3CO3H 1.000E+11 0.000 8.000E+03 REV/ 2.000E+10 0.000 1.000E+04 / !R744 C4H8-1+C3H5-A<=>C4H71-3+C3H6 7.900E+10 0.000 1.240E+04 REV/ 1.000E+11 0.000 1.750E+04 / !R745 C4H8-1+C4H6<=>C4H71-3+C4H71-3 2.350E+12 0.000 4.672E+04 REV/ 1.600E+12 0.000 0.000E+00 / !R746 C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R747 C4H8-1+NC3H7O2<=>C4H71-3+NC3H7O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R748 C4H8-1+IC3H7O2<=>C4H71-3+IC3H7O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R749 C4H8-1+PC4H9O2<=>C4H71-3+PC4H9O2H 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R752 C4H8-2<=>H+C4H71-3 2.337E+14 0.143 8.789E+04 REV/ 5.000E+13 0.000 0.000E+00 / !R753 C4H8-2+O2<=>C4H71-3+HO2 4.000E+13 0.000 3.939E+04 REV/ 1.350E+13 -0.180 -9.240E+02 / !R754 C4H8-2+H<=>C4H71-3+H2 3.460E+05 2.500 2.492E+03 REV/ 6.428E+06 1.990 1.966E+04 / !R755 C4H8-2+OH<=>C4H71-3+H2O 6.240E+06 2.000 -2.980E+02 REV/ 5.019E+08 1.490 3.202E+04 / !R756 C4H8-2+CH3<=>C4H71-3+CH4 4.420E+00 3.500 5.675E+03 REV/ 2.145E+03 2.990 2.332E+04 / !R757 C4H8-2+HO2<=>C4H71-3+H2O2 1.928E+04 2.600 1.391E+04 REV/ 9.205E+06 1.770 1.477E+04 / !R758 C4H8-2+CH3O2<=>C4H71-3+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 1.917E+07 1.590 1.175E+04 / !R759 C4H8-2+CH3O<=>C4H71-3+CH3OH 1.800E+01 2.950 1.199E+04 REV/ 1.612E+02 2.470 2.742E+04 / !R760 C4H8-2+C2H5O2<=>C4H71-3+C2H5O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / !R761 C4H8-2+NC3H7O2<=>C4H71-3+NC3H7O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / !R762 C4H8-2+IC3H7O2<=>C4H71-3+IC3H7O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / !R763 C4H8-2+PC4H9O2<=>C4H71-3+PC4H9O2H 3.200E+12 0.000 1.490E+04 REV/ 1.585E+11 0.000 1.470E+04 / !R768 PC4H8OH<=>C4H8-1+OH 1.079E+16 -0.699 2.809E+04 REV/ 4.750E+12 0.000 -7.820E+02 / !R769 SC4H8OH<=>C4H8-2+OH 3.379E+17 -1.253 2.992E+04 REV/ 4.750E+12 0.000 -7.820E+02 / !R770 C4H8OH-1O2<=>PC4H8OH+O2 6.753E+20 -1.944 3.552E+04 REV/ 2.000E+12 0.000 0.000E+00 / !R771 C4H8OH-2O2<=>SC4H8OH+O2 7.686E+20 -1.968 3.551E+04 REV/ 2.000E+12 0.000 0.000E+00 / !R772 C4H8OH-1O2<=>C2H5CHO+CH2O+OH 1.000E+16 0.000 2.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R773 C4H8OH-2O2<=>OH+CH3CHO+CH3CHO 1.000E+16 0.000 2.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R774 C4H71-1<=>C2H2+C2H5 1.066E+15 -0.560 3.032E+04 REV/ 2.000E+11 0.000 7.800E+03 / !R775 C4H71-2<=>C3H4-A+CH3 9.589E+14 -0.710 3.126E+04 REV/ 2.000E+11 0.000 7.800E+03 / !R776 C4H71-4<=>C2H4+C2H3 8.766E+12 -0.220 3.629E+04 REV/ 2.000E+11 0.000 7.800E+03 / !R777 C4H71-4<=>C4H6+H 3.00E+13 0.00 3.500E+04 !!!ADDED 1984WEI/BEN307-333 !R778 C4H72-2<=>C3H4-P+CH3 6.326E+10 0.520 3.002E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R779 C4H71-3<=>C4H6+H 1.200E+14 0.000 4.930E+04 REV/ 4.000E+13 0.000 1.300E+03 / !R780 C4H71-3+C2H5<=>C4H8-1+C2H4 2.590E+12 0.000 -1.310E+02 REV/ 1.149E+13 0.060 4.944E+04 / !R781 C4H71-3+CH3O<=>C4H8-1+CH2O 2.410E+13 0.000 0.000E+00 REV/ 2.482E+12 0.280 6.633E+04 / !R782 C4H71-3+O<=>C2H3CHO+CH3 6.030E+13 0.000 0.000E+00 REV/ 3.385E+15 -0.780 8.163E+04 / !R783 C4H71-3+HO2<=>C4H7O+OH 9.640E+12 0.000 0.000E+00 REV/ 7.290E+15 -1.090 1.553E+04 / !R784 C4H71-3+CH3O2<=>C4H7O+CH3O 9.640E+12 0.000 0.000E+00 REV/ 7.120E+17 -1.670 2.029E+04 / !R785 C3H5-A+C4H71-3<=>C3H6+C4H6 6.310E+12 0.000 0.000E+00 REV/ 1.000E+10 0.000 5.000E+04 / !R786 C4H71-3+O2<=>C4H6+HO2 1.000E+09 0.000 0.000E+00 REV/ 1.000E+11 0.000 1.700E+04 / !R787 H+C4H71-3<=>C4H6+H2 3.160E+13 0.000 0.000E+00 REV/ 1.066E+13 0.000 5.681E+04 / !R788 C2H5+C4H71-3<=>C4H6+C2H6 3.980E+12 0.000 0.000E+00 REV/ 3.211E+12 0.000 4.984E+04 / !R789 C2H3+C4H71-3<=>C2H4+C4H6 3.980E+12 0.000 0.000E+00 REV/ 1.157E+13 0.000 5.771E+04 / !R790 C4H71-3+C2H5O2<=>C4H7O+C2H5O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / !R791 IC3H7O2+C4H71-3<=>IC3H7O+C4H7O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / !R792 NC3H7O2+C4H71-3<=>NC3H7O+C4H7O 3.800E+12 0.000 -1.200E+03 REV/ 2.000E+10 0.000 0.000E+00 / !R793 C4H7O<=>CH3CHO+C2H3 7.940E+14 0.000 1.900E+04 REV/ 1.000E+10 0.000 2.000E+04 / !R794 C4H7O<=>C2H3CHO+CH3 7.940E+14 0.000 1.900E+04 REV/ 1.000E+10 0.000 2.000E+04 / !R795 C4H6<=>C2H3+C2H3 4.027E+19 -1.000 9.815E+04 REV/ 1.260E+13 0.000 0.000E+00 / !R796 C4H6+OH<=>C2H5+CH2CO 1.000E+12 0.000 0.000E+00 REV/ 3.730E+12 0.000 3.002E+04 / !R797 C4H6+OH<=>CH2O+C3H5-A 1.000E+12 0.000 0.000E+00 REV/ 3.501E+06 0.000 7.106E+04 / !R798 C4H6+OH<=>C2H3+CH3CHO 1.000E+12 0.000 0.000E+00 REV/ 5.437E+11 0.000 1.855E+04 / !R799 C4H6+O<=>C2H4+CH2CO 1.000E+12 0.000 0.000E+00 REV/ 6.377E+11 0.000 9.434E+04 / !R800 C4H6+O<=>CH2O+C3H4-A 1.000E+12 0.000 0.000E+00 REV/ 1.075E+12 0.000 7.905E+04 / !R801 C2H3+C2H4<=>C4H6+H 5.000E+11 0.000 7.300E+03 REV/ 1.000E+13 0.000 4.700E+03 / !R808 C4H8O1-3+OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R809 C4H8O1-3+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R810 C4H8O1-3+O<=>CH2O+C3H5-A+OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R811 C4H8O1-3+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R812 C4H8O1-3+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R813 C4H8O1-3+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R814 C4H8O1-4+OH<=>CH2O+C3H5-A+H2O 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R815 C4H8O1-4+H<=>CH2O+C3H5-A+H2 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R816 C4H8O1-4+O<=>CH2O+C3H5-A+OH 5.000E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R817 C4H8O1-4+HO2<=>CH2O+C3H5-A+H2O2 1.000E+13 0.000 1.500E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R818 C4H8O1-4+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.000E+13 0.000 1.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R819 C4H8O1-4+CH3<=>CH2O+C3H5-A+CH4 2.000E+11 0.000 1.000E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R826 PC4H9O2<=>PC4H9+O2 2.849E+20 -1.642 3.593E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R827 SC4H9O2<=>SC4H9+O2 4.329E+22 -2.216 3.816E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R831 IC3H7O2+PC4H9<=>IC3H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.281E+13 0.075 2.748E+04 / !R833 NC3H7O2+PC4H9<=>NC3H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.056E+15 -0.611 2.768E+04 / !R841 PC4H9O2+HO2=>PC4H9O+OH+O2 1.400E-14 -1.610 1.860E+03 !R843 H2+PC4H9O2<=>H+PC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / !R845 C2H6+PC4H9O2<=>C2H5+PC4H9O2H 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R847 PC4H9O2+C2H5CHO<=>PC4H9O2H+C2H5CO 2.000E+11 0.000 9.500E+03 REV/ 5.000E+09 0.000 1.000E+04 / !R856 PC4H9O2+CH2O<=>PC4H9O2H+HCO 5.600E+12 0.000 1.360E+04 REV/ 8.000E+11 0.000 1.000E+04 / !R857 PC4H9O2+CH3CHO<=>PC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R858 PC4H9O2+HO2<=>PC4H9O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 4.357E+13 -0.813 3.363E+04 / !R859 C3H6+PC4H9O2<=>C3H5-A+PC4H9O2H 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R861 C2H4+PC4H9O2<=>C2H3+PC4H9O2H 1.130E+13 0.000 3.043E+04 REV/ 3.000E+12 0.000 1.150E+04 / !R863 CH3OH+PC4H9O2<=>CH2OH+PC4H9O2H 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / !R865 C2H3CHO+PC4H9O2<=>C2H3CO+PC4H9O2H 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R867 CH4+PC4H9O2<=>CH3+PC4H9O2H 1.120E+13 0.000 2.464E+04 REV/ 7.430E+11 0.000 5.500E+03 / !R869 C4H71-3+PC4H9O2<=>C4H7O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.186E+14 -0.763 1.610E+04 / !R871 H2O2+PC4H9O2<=>HO2+PC4H9O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R873 PC4H9O2+PC4H9O2<=>O2+PC4H9O+PC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R875 PC4H9O2+NC3H7O2<=>PC4H9O+NC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R876 PC4H9O2+IC3H7O2<=>PC4H9O+IC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R877 PC4H9O2+C2H5O2<=>PC4H9O+C2H5O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R878 PC4H9O2+CH3O2<=>PC4H9O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R879 PC4H9O2+CH3CO3<=>PC4H9O+CH3CO2+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R880 PC4H9O2+CH3<=>PC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 6.199E+12 -0.015 2.663E+04 / !R881 PC4H9O2+C2H5<=>PC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 8.813E+14 -0.617 2.904E+04 / !R882 PC4H9O2+IC3H7<=>PC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.503E+15 -0.450 2.971E+04 / !R883 PC4H9O2+NC3H7<=>PC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 8.898E+14 -0.586 2.771E+04 / !R884 PC4H9O2+PC4H9<=>PC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.235E+15 -0.636 2.739E+04 / !R886 PC4H9O2+C3H5-A<=>PC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.296E+11 0.167 1.405E+04 / !R887 PC4H9+HO2<=>PC4H9O+OH 7.000E+12 0.000 -1.000E+03 REV/ 8.630E+15 -0.743 2.500E+04 / !R889 CH3O2+PC4H9<=>CH3O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.398E+14 -0.444 2.924E+04 / !R891 PC4H9O2H<=>PC4H9O+OH 1.500E+16 0.000 4.250E+04 REV/ 1.178E+08 1.712 -4.342E+03 / !R893 PC4H9O<=>NC3H7+CH2O 1.558E+21 -2.444 1.523E+04 REV/ 5.000E+10 0.000 3.457E+03 / !R896 PC4H9O2<=>C4H8OOH1-2 2.000E+11 0.000 2.685E+04 REV/ 5.597E+08 0.339 1.197E+04 / !R897 PC4H9O2<=>C4H8OOH1-3 2.500E+10 0.000 2.085E+04 REV/ 3.231E+09 -0.136 7.871E+03 / !R898 PC4H9O2<=>C4H8OOH1-4 4.688E+09 0.000 2.235E+04 REV/ 1.269E+10 -0.523 6.900E+03 / !R902 PC4H9O2<=>C4H8-1+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.599E+30 -6.283 2.035E+04 / !R903 SC4H9O2<=>C4H8-1+HO2 5.075E+42 -9.410 4.149E+04 REV/ 2.595E+33 -7.347 1.661E+04 / !R904 SC4H9O2<=>C4H8-2+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.618E+29 -5.793 1.830E+04 / !R905 C4H8OOH1-2<=>C4H8-1+HO2 8.828E+16 -1.488 1.626E+04 REV/ 1.000E+11 0.000 1.100E+04 / !R909 C4H8OOH1-3<=>C4H8O1-3+OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R910 C4H8OOH1-4<=>C4H8O1-4+OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R916 C4H8OOH1-3<=>OH+CH2O+C3H6 6.635E+13 -0.160 2.990E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R918 C4H8OOH1-2O2<=>C4H8OOH1-2+O2 2.586E+24 -2.709 3.986E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R919 C4H8OOH1-3O2<=>C4H8OOH1-3+O2 5.601E+22 -2.234 3.796E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R925 C4H8OOH1-3O2<=>NC4KET13+OH 2.500E+10 0.000 2.140E+04 REV/ 1.435E+03 1.486 4.474E+04 / !R931 NC4KET13<=>CH3CHO+CH2CHO+OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R936 C2H5COCH3+OH<=>CH2CH2COCH3+H2O 7.550E+09 0.970 1.586E+03 REV/ 1.527E+09 0.960 2.102E+04 / !R937 C2H5COCH3+OH<=>CH3CHCOCH3+H2O 8.450E+11 0.000 -2.280E+02 REV/ 1.586E+13 -0.230 2.862E+04 / !R938 C2H5COCH3+OH<=>C2H5COCH2+H2O 5.100E+11 0.000 1.192E+03 REV/ 6.628E+13 -0.700 2.767E+04 / !R939 C2H5COCH3+HO2<=>CH2CH2COCH3+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.857E+04 2.220 4.459E+03 / !R940 C2H5COCH3+HO2<=>CH3CHCOCH3+H2O2 2.000E+11 0.000 8.698E+03 REV/ 2.229E+13 -0.550 6.080E+03 / !R941 C2H5COCH3+HO2<=>C2H5COCH2+H2O2 2.380E+04 2.550 1.469E+04 REV/ 1.836E+07 1.520 9.702E+03 / !R942 C2H5COCH3+O<=>CH2CH2COCH3+OH 2.250E+13 0.000 7.700E+03 REV/ 4.616E+11 -0.010 9.882E+03 / !R943 C2H5COCH3+O<=>CH3CHCOCH3+OH 3.070E+13 0.000 3.400E+03 REV/ 5.847E+13 -0.230 1.500E+04 / !R944 C2H5COCH3+O<=>C2H5COCH2+OH 5.000E+12 0.000 5.962E+03 REV/ 6.592E+13 -0.700 1.519E+04 / !R945 C2H5COCH3+H<=>CH2CH2COCH3+H2 9.160E+06 2.000 7.700E+03 REV/ 4.279E+05 1.990 1.198E+04 / !R946 C2H5COCH3+H<=>CH3CHCOCH3+H2 4.460E+06 2.000 3.200E+03 REV/ 1.934E+07 1.770 1.689E+04 / !R947 C2H5COCH3+H<=>C2H5COCH2+H2 9.300E+12 0.000 6.357E+03 REV/ 2.792E+14 -0.700 1.768E+04 / !R948 C2H5COCH3+O2<=>CH2CH2COCH3+HO2 2.050E+13 0.000 5.131E+04 REV/ 1.740E+10 0.320 -1.895E+03 / !R949 C2H5COCH3+O2<=>CH3CHCOCH3+HO2 1.550E+13 0.000 4.197E+04 REV/ 1.221E+12 0.100 -1.822E+03 / !R950 C2H5COCH3+O2<=>C2H5COCH2+HO2 2.050E+13 0.000 4.915E+04 REV/ 1.118E+13 -0.370 2.988E+03 / !R951 C2H5COCH3+CH3<=>CH2CH2COCH3+CH4 3.190E+01 3.170 7.172E+03 REV/ 3.893E+01 3.160 1.193E+04 / !R952 C2H5COCH3+CH3<=>CH3CHCOCH3+CH4 1.740E+00 3.460 3.680E+03 REV/ 1.971E+02 3.230 1.785E+04 / !R953 C2H5COCH3+CH3<=>C2H5COCH2+CH4 1.620E+11 0.000 9.630E+03 REV/ 1.270E+14 -0.700 2.143E+04 / !R954 C2H5COCH3+CH3O<=>CH2CH2COCH3+CH3OH 2.170E+11 0.000 6.460E+03 REV/ 4.887E+09 0.020 9.007E+03 / !R955 C2H5COCH3+CH3O<=>CH3CHCOCH3+CH3OH 1.450E+11 0.000 2.771E+03 REV/ 3.031E+11 -0.200 1.473E+04 / !R956 C2H5COCH3+CH3O<=>C2H5COCH2+CH3OH 2.170E+11 0.000 4.660E+03 REV/ 3.140E+12 -0.680 1.425E+04 / !R957 C2H5COCH3+CH3O2<=>CH2CH2COCH3+CH3O2H 3.010E+12 0.000 1.938E+04 REV/ 7.525E+12 -0.510 4.329E+03 / !R958 C2H5COCH3+CH3O2<=>CH3CHCOCH3+CH3O2H 2.000E+12 0.000 1.525E+04 REV/ 4.641E+14 -0.730 9.612E+03 / !R959 C2H5COCH3+CH3O2<=>C2H5COCH2+CH3O2H 3.010E+12 0.000 1.758E+04 REV/ 4.836E+15 -1.200 9.572E+03 / !R960 C2H5COCH3+C2H3<=>CH2CH2COCH3+C2H4 5.000E+11 0.000 1.040E+04 REV/ 3.436E+08 0.820 1.403E+04 / !R961 C2H5COCH3+C2H3<=>CH3CHCOCH3+C2H4 3.000E+11 0.000 3.400E+03 REV/ 1.914E+10 0.600 1.644E+04 / !R962 C2H5COCH3+C2H3<=>C2H5COCH2+C2H4 6.150E+10 0.000 4.278E+03 REV/ 2.716E+10 0.130 1.495E+04 / !R963 C2H5COCH3+C2H5<=>CH2CH2COCH3+C2H6 5.000E+10 0.000 1.340E+04 REV/ 9.549E+12 -0.570 1.399E+04 / !R964 C2H5COCH3+C2H5<=>CH3CHCOCH3+C2H6 3.000E+10 0.000 8.600E+03 REV/ 5.319E+14 -0.790 1.860E+04 / !R965 C2H5COCH3+C2H5<=>C2H5COCH2+C2H6 5.000E+10 0.000 1.160E+04 REV/ 6.136E+15 -1.260 1.923E+04 / !R969 CH2CH2CHO<=>C2H4+HCO 3.127E+13 -0.520 2.459E+04 REV/ 1.500E+11 0.000 8.300E+03 / !R970 CH2CH2COCH3<=>C2H4+CH3CO 1.000E+14 0.000 1.800E+04 REV/ 1.000E+11 0.000 0.000E+00 / !R971 C2H5COCH2<=>CH2CO+C2H5 1.000E+14 0.000 3.500E+04 REV/ 1.000E+11 0.000 0.000E+00 / !R972 CH3CHCOCH3<=>C2H3COCH3+H 3.417E+16 -0.820 4.177E+04 REV/ 5.000E+12 0.000 1.200E+03 / !R973 CH3CHCOCH3<=>CH3CHCO+CH3 1.406E+15 -0.440 3.834E+04 REV/ 1.230E+11 0.000 7.800E+03 / !R974 NC3H7CHO+O2<=>NC3H7CO+HO2 1.200E+05 2.500 3.756E+04 REV/ 1.000E+07 0.500 4.000E+03 / !R975 NC3H7CHO+OH<=>NC3H7CO+H2O 2.000E+06 1.800 -1.300E+03 REV/ 1.553E+04 2.320 2.805E+04 / !R976 NC3H7CHO+H<=>NC3H7CO+H2 4.140E+09 1.120 2.320E+03 REV/ 3.030E+06 1.746 1.678E+04 / !R977 NC3H7CHO+O<=>NC3H7CO+OH 5.940E+12 0.000 1.868E+03 REV/ 2.258E+09 0.607 1.492E+04 / !R978 NC3H7CHO+HO2<=>NC3H7CO+H2O2 4.090E+04 2.500 1.020E+04 REV/ 1.733E+04 2.431 8.662E+03 / !R979 NC3H7CHO+CH3<=>NC3H7CO+CH4 2.890E-03 4.620 3.210E+03 REV/ 1.930E-03 4.800 1.921E+04 / !R980 NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 1.000E+12 0.000 3.300E+03 REV/ 1.572E+10 0.413 1.799E+04 / !R981 NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 4.090E+04 2.500 1.020E+04 REV/ 3.371E+05 1.986 7.067E+03 / !R982 NC3H7CHO+OH<=>C3H6CHO-1+H2O 5.280E+09 0.970 1.586E+03 REV/ 1.230E+07 1.494 1.882E+04 / !R983 NC3H7CHO+OH<=>C3H6CHO-2+H2O 4.680E+07 1.610 -3.500E+01 REV/ 9.102E+03 2.444 1.974E+04 / !R984 NC3H7CHO+OH<=>C3H6CHO-3+H2O 5.520E+02 3.120 -1.176E+03 REV/ 1.428E+02 3.400 2.551E+04 / !R985 NC3H7CHO+HO2<=>C3H6CHO-1+H2O2 2.379E+04 2.550 1.649E+04 REV/ 3.025E+03 2.485 2.834E+03 / !R986 NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 9.640E+03 2.600 1.391E+04 REV/ 1.023E+02 2.845 2.791E+03 / !R987 NC3H7CHO+HO2<=>C3H6CHO-3+H2O2 3.440E+12 0.050 1.788E+04 REV/ 4.855E+13 -0.259 1.366E+04 / !R988 NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H 2.379E+04 2.550 1.649E+04 REV/ 5.885E+04 2.040 1.239E+03 / !R989 NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H 9.640E+03 2.600 1.391E+04 REV/ 1.990E+03 2.400 1.196E+03 / !R990 NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H 3.440E+12 0.050 1.788E+04 REV/ 9.445E+14 -0.704 1.207E+04 / !R991 NC3H7CO<=>NC3H7+CO 1.000E+11 0.000 9.600E+03 REV/ 2.193E+03 1.763 -1.100E+03 / !R992 C3H6CHO-1<=>C2H4+CH2CHO 7.400E+11 0.000 2.197E+04 REV/ 2.110E+11 0.000 7.350E+03 / !R994 C3H6CHO-3<=>C2H3CHO+CH3 3.174E+14 -0.390 2.990E+04 REV/ 1.230E+11 0.000 7.800E+03 / !R995 C3H6CHO-2<=>SC3H5CHO+H 4.947E+12 -0.150 3.130E+04 REV/ 5.000E+12 0.000 2.900E+03 / !R996 C3H6CHO-2<=>C3H6+HCO 8.249E+12 -0.180 2.190E+04 REV/ 1.000E+11 0.000 6.000E+03 / !R1000 SC3H5CHO+OH<=>SC3H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 4.831E+10 0.770 3.709E+04 / !R1001 SC3H5CO<=>C3H5-S+CO 8.600E+15 0.000 2.300E+04 REV/ 1.000E+11 0.000 6.000E+03 / !R1002 SC3H5CHO+HO2<=>SC3H5CO+H2O2 1.000E+12 0.000 1.192E+04 REV/ 1.066E+13 -0.320 1.789E+04 / !R1003 SC3H5CHO+CH3<=>SC3H5CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 4.313E+13 0.010 3.146E+04 / !R1004 SC3H5CHO+O<=>SC3H5CO+OH 7.180E+12 0.000 1.389E+03 REV/ 1.308E+12 0.010 2.157E+04 / !R1005 SC3H5CHO+O2<=>SC3H5CO+HO2 4.000E+13 0.000 3.760E+04 REV/ 3.014E+11 0.340 2.394E+03 / !R1006 SC3H5CHO+H<=>SC3H5CO+H2 2.600E+12 0.000 2.600E+03 REV/ 1.079E+12 0.010 2.488E+04 / !R1007 C2H3COCH3+OH=>CH3CHO+CH3CO 1.000E+11 0.000 0.000E+00 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1008 C2H3COCH3+OH=>CH2CO+C2H3+H2O 5.100E+11 0.000 1.192E+03 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1009 C2H3COCH3+HO2=>CH2CHO+CH3CO+OH 6.030E+09 0.000 7.949E+03 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1010 C2H3COCH3+HO2=>CH2CO+C2H3+H2O2 8.500E+12 0.000 2.046E+04 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1011 C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O 3.970E+11 0.000 1.705E+04 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1012 C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H 3.010E+12 0.000 1.758E+04 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1013 IC4H10(+M)<=>CH3+IC3H7(+M) 4.830E+16 0.000 7.990E+04 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 !R1014 IC4H10<=>TC4H9+H 2.510E+98 -23.810 1.453E+05 REV/ 1.131E+93 -22.873 4.839E+04 / !R1015 IC4H10<=>IC4H9+H 9.850E+95 -23.110 1.476E+05 REV/ 2.248E+92 -22.752 4.636E+04 / !R1016 IC4H10+H<=>TC4H9+H2 6.020E+05 2.400 2.583E+03 REV/ 1.084E+00 3.613 9.213E+03 / !R1017 IC4H10+H<=>IC4H9+H2 1.810E+06 2.540 6.756E+03 REV/ 1.651E+02 3.174 9.096E+03 / !R1018 IC4H10+CH3<=>TC4H9+CH4 9.040E-01 3.460 4.598E+03 REV/ 1.485E-03 4.227 1.277E+04 / !R1019 IC4H10+CH3<=>IC4H9+CH4 1.360E+00 3.650 7.154E+03 REV/ 1.132E-01 3.838 1.103E+04 / !R1020 IC4H10+OH<=>TC4H9+H2O 2.925E+04 2.531 -1.659E+03 REV/ 5.584E-01 3.638 1.986E+04 / !R1021 IC4H10+OH<=>IC4H9+H2O 6.654E+04 2.665 -1.689E+02 REV/ 6.437E+01 3.193 1.706E+04 / !R1022 IC4H10+C2H5<=>IC4H9+C2H6 1.510E+12 0.000 1.040E+04 REV/ 3.200E+11 0.000 1.230E+04 / !R1023 IC4H10+C2H5<=>TC4H9+C2H6 1.000E+11 0.000 7.900E+03 REV/ 3.000E+11 0.000 2.100E+04 / !R1024 IC4H10+HO2<=>IC4H9+H2O2 6.120E+01 3.590 1.716E+04 REV/ 3.231E+00 3.529 3.500E+03 / !R1025 IC4H10+HO2<=>TC4H9+H2O2 4.332E+02 3.010 1.209E+04 REV/ 4.513E-01 3.528 2.723E+03 / !R1026 IC4H10+O<=>TC4H9+OH 1.968E+05 2.402 1.150E+03 REV/ 1.839E-01 3.596 6.368E+03 / !R1027 IC4H10+O<=>IC4H9+OH 4.046E+07 2.034 5.136E+03 REV/ 1.916E+03 2.649 6.064E+03 / !R1028 IC4H10+CH3O<=>IC4H9+CH3OH 4.800E+11 0.000 7.000E+03 REV/ 9.402E+08 0.421 9.567E+03 / !R1029 IC4H10+CH3O<=>TC4H9+CH3OH 1.900E+10 0.000 2.800E+03 REV/ 7.344E+05 1.000 9.657E+03 / !R1030 IC4H10+O2<=>IC4H9+HO2 9.000E+13 0.000 5.229E+04 REV/ 4.306E+10 0.286 -5.900E+01 / !R1031 IC4H10+O2<=>TC4H9+HO2 1.000E+13 0.000 4.820E+04 REV/ 9.442E+07 0.865 1.410E+02 / !R1032 IC4H10+CH3O2<=>IC4H9+CH3O2H 2.079E+00 3.970 1.828E+04 REV/ 2.135E+00 3.464 3.026E+03 / !R1033 IC4H10+C2H5O2<=>IC4H9+C2H5O2H 2.550E+13 0.000 2.046E+04 REV/ 2.623E+13 -0.506 5.208E+03 / !R1034 IC4H10+CH3CO3<=>IC4H9+CH3CO3H 2.550E+13 0.000 2.046E+04 REV/ 2.147E+12 -0.009 9.570E+03 / !R1035 IC4H10+NC3H7O2<=>IC4H9+NC3H7O2H 2.550E+13 0.000 2.046E+04 REV/ 2.678E+13 -0.509 5.000E+03 / !R1036 IC4H10+IC3H7O2<=>IC4H9+IC3H7O2H 2.550E+13 0.000 2.046E+04 REV/ 2.688E+13 -0.510 5.000E+03 / !R1037 IC4H10+IC4H9O2<=>IC4H9+IC4H9O2H 2.550E+13 0.000 2.046E+04 REV/ 2.679E+13 -0.509 5.010E+03 / !R1038 IC4H10+TC4H9O2<=>IC4H9+TC4H9O2H 2.550E+13 0.000 2.046E+04 REV/ 2.684E+13 -0.510 5.010E+03 / !R1039 IC4H10+O2CHO<=>IC4H9+HO2CHO 2.520E+13 0.000 2.044E+04 REV/ 1.006E+00 3.060 2.375E+03 / !R1040 IC4H10+O2CHO<=>TC4H9+HO2CHO 2.800E+12 0.000 1.601E+04 REV/ 1.893E+01 2.720 4.678E+03 / !R1043 IC4H10+PC4H9O2<=>IC4H9+PC4H9O2H 2.250E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1044 IC4H10+PC4H9O2<=>TC4H9+PC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1045 IC4H10+CH3O2<=>TC4H9+CH3O2H 1.366E+02 3.120 1.319E+04 REV/ 2.769E+00 3.193 2.228E+03 / !R1046 IC4H10+C2H5O2<=>TC4H9+C2H5O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1047 IC4H10+CH3CO3<=>TC4H9+CH3CO3H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1048 IC4H10+NC3H7O2<=>TC4H9+NC3H7O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1049 IC4H10+IC3H7O2<=>TC4H9+IC3H7O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1050 IC4H10+IC4H9O2<=>TC4H9+IC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1051 IC4H10+TC4H9O2<=>TC4H9+TC4H9O2H 2.800E+12 0.000 1.600E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1052 IC4H10+IC4H9<=>TC4H9+IC4H10 2.500E+10 0.000 7.900E+03 REV/ 2.250E+11 0.000 1.230E+04 / !R1053 IC4H9+HO2<=>IC4H9O+OH 7.000E+12 0.000 -1.000E+03 REV/ 3.712E+15 -0.658 2.654E+04 / !R1054 TC4H9+HO2<=>TC4H9O+OH 7.000E+12 0.000 -1.000E+03 REV/ 4.083E+18 -1.329 2.865E+04 / !R1055 CH3O2+IC4H9<=>CH3O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.322E+14 -0.359 3.078E+04 / !R1056 CH3O2+TC4H9<=>CH3O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 2.554E+17 -1.030 3.289E+04 / !R1057 IC4H9<=>IC4H8+H 3.371E+13 0.124 3.366E+04 REV/ 6.250E+11 0.510 2.620E+03 / !R1058 IC4H9<=>C3H6+CH3 9.504E+11 0.773 3.070E+04 REV/ 1.890E+03 2.670 6.850E+03 / !R1059 TC4H9<=>H+IC4H8 1.128E+12 0.703 3.656E+04 REV/ 1.060E+12 0.510 1.230E+03 / !R1060 TC4H9+O2<=>IC4H8+HO2 8.370E-01 3.590 1.196E+04 REV/ 1.648E+00 3.325 2.550E+04 / !R1061 IC4H9+O2<=>IC4H8+HO2 1.070E+00 3.710 9.322E+03 REV/ 4.158E-02 4.024 2.715E+04 / !R1062 NC3H7O2+IC4H9<=>NC3H7O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.543E+14 -0.526 2.922E+04 / !R1063 NC3H7O2+TC4H9<=>NC3H7O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.997E+17 -1.197 3.133E+04 / !R1064 NC3H7O2+IC4H7<=>NC3H7O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.183E+11 0.182 1.350E+04 / !R1067 PC4H9O2+IC4H9<=>PC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.310E+14 -0.551 2.893E+04 / !R1068 PC4H9O2+TC4H9<=>PC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.841E+17 -1.222 3.104E+04 / !R1069 PC4H9O2+IC4H7<=>PC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.890E+11 0.157 1.321E+04 / !R1071 IC4H9O2<=>IC4H9+O2 6.640E+19 -1.575 3.608E+04 REV/ 2.260E+12 0.000 0.000E+00 / !R1072 TC4H9O2<=>TC4H9+O2 3.331E+24 -2.472 3.787E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R1073 IC4H9O2+C4H10<=>IC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1074 TC4H9O2+C4H10<=>TC4H9O2H+SC4H9 1.120E+13 0.000 1.770E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1075 IC4H9O2+C4H10<=>IC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1076 TC4H9O2+C4H10<=>TC4H9O2H+PC4H9 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1077 IC3H7O2+IC4H9<=>IC3H7O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 9.811E+12 0.160 2.902E+04 / !R1078 IC3H7O2+TC4H9<=>IC3H7O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.079E+16 -0.511 3.113E+04 / !R1079 IC3H7O2+IC4H7<=>IC3H7O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 9.035E+09 0.868 1.330E+04 / !R1080 IC4H9O2+C3H6<=>IC4H9O2H+C3H5-A 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R1081 TC4H9O2+C3H6<=>TC4H9O2H+C3H5-A 3.240E+11 0.000 1.490E+04 REV/ 2.000E+10 0.000 1.500E+04 / !R1082 IC4H9O2+IC4H8<=>IC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1083 TC4H9O2+IC4H8<=>TC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1084 PC4H9O2+IC4H8<=>PC4H9O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1086 IC3H7O2+IC4H8<=>IC3H7O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1087 NC3H7O2+IC4H8<=>NC3H7O2H+IC4H7 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1088 IC4H9O2+C4H8-1<=>IC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1089 TC4H9O2+C4H8-1<=>TC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1090 IC4H9O2+C4H8-2<=>IC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1091 TC4H9O2+C4H8-2<=>TC4H9O2H+C4H71-3 1.400E+12 0.000 1.490E+04 REV/ 3.160E+11 0.000 1.300E+04 / !R1098 C2H4+TC4H9O2<=>C2H3+TC4H9O2H 7.000E+11 0.000 1.711E+04 REV/ 1.000E+11 0.000 1.000E+04 / !R1099 TC4H9O2+CH4<=>TC4H9O2H+CH3 1.130E+13 0.000 2.046E+04 REV/ 7.500E+08 0.000 1.280E+03 / !R1100 H2+TC4H9O2<=>H+TC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / !R1101 TC4H9O2+C2H6<=>TC4H9O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1102 TC4H9O2+C3H8<=>TC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1103 TC4H9O2+C3H8<=>TC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1104 TC4H9O2+CH3OH<=>TC4H9O2H+CH2OH 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / !R1105 TC4H9O2+C2H5OH<=>TC4H9O2H+PC2H4OH 6.300E+12 0.000 1.936E+04 REV/ 3.061E+12 0.000 2.210E+04 / !R1106 TC4H9O2+C2H5OH<=>TC4H9O2H+SC2H4OH 4.200E+12 0.000 1.500E+04 REV/ 2.040E+12 0.000 1.774E+04 / !R1107 IC4H9O2+CH3CHO<=>IC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1108 TC4H9O2+CH3CHO<=>TC4H9O2H+CH3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1109 IC4H9O2+C2H3CHO<=>IC4H9O2H+C2H3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1110 TC4H9O2+C2H3CHO<=>TC4H9O2H+C2H3CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1111 IC4H9O2+C2H5CHO<=>IC4H9O2H+C2H5CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1112 TC4H9O2+C2H5CHO<=>TC4H9O2H+C2H5CO 2.800E+12 0.000 1.360E+04 REV/ 1.000E+12 0.000 1.000E+04 / !R1113 IC4H9O2+HO2<=>IC4H9O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.843E+13 -0.795 3.362E+04 / !R1114 TC4H9O2+HO2<=>TC4H9O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.850E+13 -0.795 3.362E+04 / !R1115 IC4H9O2+H2O2<=>IC4H9O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R1116 TC4H9O2+H2O2<=>TC4H9O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R1117 IC4H9O2+CH2O<=>IC4H9O2H+HCO 1.300E+11 0.000 9.000E+03 REV/ 2.500E+10 0.000 1.010E+04 / !R1118 TC4H9O2+CH2O<=>TC4H9O2H+HCO 1.300E+11 0.000 9.000E+03 REV/ 2.500E+10 0.000 1.010E+04 / !R1119 IC4H9O2+CH3O2<=>IC4H9O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1120 TC4H9O2+CH3O2<=>TC4H9O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1121 IC4H9O2+C2H5O2<=>IC4H9O+C2H5O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1122 TC4H9O2+C2H5O2<=>TC4H9O+C2H5O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1123 IC4H9O2+CH3CO3<=>IC4H9O+CH3CO2+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1124 TC4H9O2+CH3CO3<=>TC4H9O+CH3CO2+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1125 IC4H9O2+IC4H9O2<=>O2+IC4H9O+IC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1126 IC4H9O2+TC4H9O2<=>IC4H9O+TC4H9O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1127 TC4H9O2+TC4H9O2<=>O2+TC4H9O+TC4H9O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1128 IC4H9O2+PC4H9O2<=>IC4H9O+PC4H9O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1129 TC4H9O2+PC4H9O2<=>TC4H9O+PC4H9O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1132 IC4H9O2+NC3H7O2<=>IC4H9O+NC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1133 TC4H9O2+NC3H7O2<=>TC4H9O+NC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1134 IC4H9O2+IC3H7O2<=>IC4H9O+IC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1135 TC4H9O2+IC3H7O2<=>TC4H9O+IC3H7O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1136 IC4H9O2+HO2<=>IC4H9O+OH+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1137 TC4H9O2+HO2<=>TC4H9O+OH+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1138 IC4H9O2+CH3<=>IC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 5.720E+12 0.003 2.802E+04 / !R1139 IC4H9O2+C2H5<=>IC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 8.133E+14 -0.599 3.043E+04 / !R1140 IC4H9O2+IC3H7<=>IC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.387E+15 -0.432 3.110E+04 / !R1141 IC4H9O2+NC3H7<=>IC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 8.212E+14 -0.568 2.910E+04 / !R1142 IC4H9O2+PC4H9<=>IC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.139E+15 -0.618 2.878E+04 / !R1144 IC4H9O2+IC4H9<=>IC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 4.900E+14 -0.533 3.032E+04 / !R1145 IC4H9O2+TC4H9<=>IC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 5.390E+17 -1.204 3.243E+04 / !R1146 IC4H9O2+C3H5-A<=>IC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.119E+11 0.184 1.544E+04 / !R1147 IC4H9O2+C4H71-3<=>IC4H9O+C4H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.095E+14 -0.745 1.749E+04 / !R1148 IC4H9O2+IC4H7<=>IC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 4.512E+11 0.175 1.460E+04 / !R1149 TC4H9O2+CH3<=>TC4H9O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 7.824E+11 0.229 2.834E+04 / !R1150 TC4H9O2+C2H5<=>TC4H9O+C2H5O 7.000E+12 0.000 -1.000E+03 REV/ 1.112E+14 -0.372 3.075E+04 / !R1151 TC4H9O2+IC3H7<=>TC4H9O+IC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.898E+14 -0.206 3.142E+04 / !R1152 TC4H9O2+NC3H7<=>TC4H9O+NC3H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.123E+14 -0.341 2.942E+04 / !R1153 TC4H9O2+PC4H9<=>TC4H9O+PC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 1.558E+14 -0.392 2.910E+04 / !R1155 TC4H9O2+IC4H9<=>TC4H9O+IC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 6.703E+13 -0.307 3.064E+04 / !R1156 TC4H9O2+TC4H9<=>TC4H9O+TC4H9O 7.000E+12 0.000 -1.000E+03 REV/ 7.373E+16 -0.978 3.275E+04 / !R1157 TC4H9O2+C3H5-A<=>TC4H9O+C3H5O 7.000E+12 0.000 -1.000E+03 REV/ 2.898E+10 0.411 1.576E+04 / !R1158 TC4H9O2+C4H71-3<=>TC4H9O+C4H7O 7.000E+12 0.000 -1.000E+03 REV/ 1.497E+13 -0.519 1.781E+04 / !R1159 TC4H9O2+IC4H7<=>TC4H9O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 6.172E+10 0.401 1.492E+04 / !R1160 IC4H9O2+C2H4<=>IC4H9O2H+C2H3 2.000E+11 0.000 6.000E+03 REV/ 2.000E+10 0.000 8.000E+03 / !R1161 IC4H9O2+CH4<=>IC4H9O2H+CH3 1.130E+13 0.000 2.046E+04 REV/ 7.500E+08 0.000 1.280E+03 / !R1162 H2+IC4H9O2<=>H+IC4H9O2H 3.010E+13 0.000 2.603E+04 REV/ 4.800E+13 0.000 7.950E+03 / !R1163 IC4H9O2+C2H6<=>IC4H9O2H+C2H5 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1164 IC4H9O2+C3H8<=>IC4H9O2H+IC3H7 2.000E+12 0.000 1.700E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1165 IC4H9O2+C3H8<=>IC4H9O2H+NC3H7 1.700E+13 0.000 2.046E+04 REV/ 5.000E+11 0.000 6.500E+03 / !R1166 IC4H9O2+CH3OH<=>IC4H9O2H+CH2OH 6.300E+12 0.000 1.936E+04 REV/ 1.000E+09 0.000 1.000E+04 / !R1167 IC4H9O2+C2H5OH<=>IC4H9O2H+PC2H4OH 6.300E+12 0.000 1.936E+04 REV/ 3.061E+12 0.000 2.210E+04 / !R1168 IC4H9O2+C2H5OH<=>IC4H9O2H+SC2H4OH 4.200E+12 0.000 1.500E+04 REV/ 2.040E+12 0.000 1.774E+04 / !R1169 IC4H9O2H<=>IC4H9O+OH 1.500E+16 0.000 4.250E+04 REV/ 1.233E+08 1.712 -2.942E+03 / !R1170 TC4H9O2H<=>TC4H9O+OH 5.950E+15 0.000 4.254E+04 REV/ 6.677E+06 1.939 -2.582E+03 / !R1171 IC4H9O+HO2<=>IC3H7CHO+H2O2 1.000E+12 0.000 0.000E+00 REV/ 1.380E+13 -0.250 7.213E+04 / !R1172 IC4H9O+OH<=>IC3H7CHO+H2O 1.810E+13 0.000 0.000E+00 REV/ 4.209E+13 0.080 1.036E+05 / !R1173 IC4H9O+CH3<=>IC3H7CHO+CH4 2.400E+13 0.000 0.000E+00 REV/ 3.368E+14 0.080 8.892E+04 / !R1174 IC4H9O+O<=>IC3H7CHO+OH 6.000E+12 0.000 0.000E+00 REV/ 1.415E+12 0.080 8.635E+04 / !R1175 IC4H9O+H<=>IC3H7CHO+H2 1.990E+13 0.000 0.000E+00 REV/ 1.069E+13 0.080 8.844E+04 / !R1176 IC4H9O<=>IC3H7CHO+H 4.000E+14 0.000 2.150E+04 REV/ 1.139E+10 1.080 2.500E+03 / !R1177 IC4H9O<=>CH2O+IC3H7 2.000E+14 0.000 1.750E+04 REV/ 1.877E+02 2.796 4.591E+03 / !R1178 TC4H9O<=>CH3COCH3+CH3 9.558E+22 -2.548 1.865E+04 REV/ 1.500E+11 0.000 1.190E+04 / !R1179 IC4H9O+O2<=>IC3H7CHO+HO2 1.930E+11 0.000 1.660E+03 REV/ 7.026E+08 0.564 3.320E+04 / !R1180 TC4H9O+O2<=>IC4H8O+HO2 8.100E+11 0.000 4.700E+03 REV/ 1.000E+11 0.000 3.200E+04 / !R1181 IC4H8O<=>IC3H7CHO 4.180E+13 0.000 5.272E+04 REV/ 1.392E+10 0.550 7.205E+04 / !R1182 IC4H8O+OH<=>IC3H6CHO+H2O 1.250E+12 0.000 0.000E+00 REV/ 9.609E+05 1.069 3.656E+04 / !R1183 IC4H8O+H<=>IC3H6CHO+H2 1.250E+12 0.000 0.000E+00 REV/ 9.063E+04 1.175 2.167E+04 / !R1184 IC4H8O+HO2<=>IC3H6CHO+H2O2 2.500E+12 0.000 1.500E+04 REV/ 1.049E+08 0.480 2.066E+04 / !R1185 IC4H8O+CH3O2<=>IC3H6CHO+CH3O2H 2.500E+12 0.000 1.900E+04 REV/ 2.040E+09 0.036 2.307E+04 / !R1186 IC4H8O+CH3<=>IC3H6CHO+CH4 5.000E+10 0.000 1.000E+04 REV/ 3.307E+06 0.729 3.321E+04 / !R1187 IC4H8O+O<=>IC3H6CHO+OH 1.250E+12 0.000 0.000E+00 REV/ 4.704E+04 1.156 2.025E+04 / !R1188 IC3H7CHO<=>TC3H6CHO+H 2.304E+18 -0.910 9.200E+04 REV/ 2.000E+14 0.000 0.000E+00 / !R1189 IC3H7CHO<=>IC3H7+HCO 1.129E+17 -0.030 7.976E+04 REV/ 1.810E+13 0.000 0.000E+00 / !R1190 IC3H7CHO+HO2<=>IC3H7CO+H2O2 3.000E+12 0.000 1.192E+04 REV/ 7.987E+11 -0.062 1.036E+04 / !R1191 IC3H7CHO+HO2<=>TC3H6CHO+H2O2 8.000E+10 0.000 1.192E+04 REV/ 3.366E+12 -0.420 1.105E+04 / !R1192 IC3H7CHO+CH3<=>IC3H7CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 2.325E+13 -0.060 2.563E+04 / !R1193 IC3H7CHO+O<=>IC3H7CO+OH 7.180E+12 0.000 1.389E+03 REV/ 7.052E+11 -0.060 1.574E+04 / !R1194 IC3H7CHO+O2<=>IC3H7CO+HO2 4.000E+13 0.000 3.760E+04 REV/ 1.625E+11 0.270 -3.432E+03 / !R1195 IC3H7CHO+OH<=>IC3H7CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 1.164E+10 0.750 3.120E+04 / !R1196 IC3H7CHO+OH<=>TC3H6CHO+H2O 1.684E+12 0.000 -7.810E+02 REV/ 1.194E+13 -0.090 2.981E+04 / !R1197 IC3H7CHO+H<=>IC3H7CO+H2 2.600E+12 0.000 2.600E+03 REV/ 1.196E+09 0.633 1.704E+04 / !R1198 IC3H7CHO+OH<=>IC3H6CHO+H2O 3.120E+06 2.000 -2.980E+02 REV/ 6.388E+05 1.990 1.913E+04 / !R1199 IC3H7CHO+HO2<=>IC3H6CHO+H2O2 2.740E+04 2.550 1.550E+04 REV/ 3.330E+04 2.210 3.468E+03 / !R1200 IC3H7CHO+CH3O2<=>IC3H6CHO+CH3O2H 4.760E+04 2.550 1.649E+04 REV/ 2.377E+05 2.040 3.742E+03 / !R1201 IC3H7CO<=>IC3H7+CO 2.869E+20 -2.194 1.497E+04 REV/ 1.500E+11 0.000 4.810E+03 / !R1202 IC3H6CHO<=>C3H6+HCO 1.031E+15 -0.620 2.317E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R1203 IC3H6CHO<=>C2H3CHO+CH3 2.425E+13 -0.270 2.247E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R1204 IC4H8OH<=>IC4H8+OH 9.232E+14 -0.562 2.805E+04 REV/ 9.930E+11 0.000 -9.600E+02 / !R1205 IO2C4H8OH<=>IC4H8OH+O2 1.917E+21 -2.347 3.579E+04 REV/ 1.200E+11 0.000 -1.100E+03 / !R1206 IO2C4H8OH<=>CH3COCH3+CH2O+OH 1.250E+10 0.000 1.890E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1207 IC4H9O2<=>IC4H8O2H-I 7.500E+10 0.000 2.440E+04 REV/ 1.815E+11 -0.507 8.946E+03 / !R1208 TC4H9O2<=>TC4H8O2H-I 9.000E+11 0.000 3.450E+04 REV/ 2.027E+09 0.123 1.694E+04 / !R1209 IC4H9O2<=>IC4H8O2H-T 1.000E+11 0.000 2.920E+04 REV/ 5.085E+06 0.780 1.588E+04 / !R1210 IC4H9O2<=>IC4H8+HO2 2.265E+35 -7.220 3.949E+04 REV/ 2.996E+26 -5.331 2.124E+04 / !R1211 TC4H9O2<=>IC4H8+HO2 7.612E+42 -9.410 4.149E+04 REV/ 6.344E+31 -7.203 1.716E+04 / !R1212 IC4H8OOH-IO2<=>IC4H8O2H-I+O2 1.440E+20 -1.627 3.569E+04 REV/ 2.260E+12 0.000 0.000E+00 / !R1215 IC4H8OOH-IO2<=>IC4KETII+OH 5.000E+10 0.000 2.140E+04 REV/ 1.986E+03 1.455 4.442E+04 / !R1225 IC4KETII<=>CH2O+C2H5CO+OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1227 TC4H8O2H-I<=>IC4H8+HO2 1.073E+20 -2.085 1.939E+04 REV/ 3.970E+11 0.000 1.262E+04 / !R1228 IC4H8O2H-T<=>IC4H8+HO2 1.526E+16 -1.109 1.756E+04 REV/ 3.970E+11 0.000 1.262E+04 / !R1230 IC4H8O2H-T<=>IC4H8O+OH 1.380E+12 0.000 1.480E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1231 TC4H8O2H-I<=>IC4H8O+OH 4.000E+12 0.000 1.700E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1232 IC4H8O2H-I<=>OH+CH2O+C3H6 8.451E+15 -0.680 2.917E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1233 IC4H8<=>C3H5-T+CH3 1.920E+66 -14.220 1.281E+05 REV/ 1.561E+56 -12.293 2.610E+04 / !R1234 IC4H8<=>IC4H7+H 3.070E+55 -11.490 1.143E+05 REV/ 1.428E+55 -11.738 2.640E+04 / !R1235 IC4H8+H<=>C3H6+CH3 5.680E+33 -5.720 2.000E+04 REV/ 6.093E+26 -4.209 2.720E+04 / !R1236 IC4H8+H<=>IC4H7+H2 3.400E+05 2.500 2.492E+03 REV/ 6.320E+04 2.528 1.816E+04 / !R1237 IC4H8+O<=>CH2CO+CH3+CH3 3.330E+07 1.760 7.600E+01 REV/ 0.000E+00 0.000 0.000E+00 / !R1238 IC4H8+O=>IC3H6CO+H+H 1.660E+07 1.760 7.600E+01 ! WJP: 2 step rxn in one step=> zero reverse rate. !R1239 IC4H8+O<=>IC4H7+OH 1.206E+11 0.700 7.633E+03 REV/ 1.164E+10 0.709 2.189E+04 / !R1240 IC4H8+CH3<=>IC4H7+CH4 4.420E+00 3.500 5.675E+03 REV/ 7.495E+02 3.082 2.289E+04 / !R1241 IC4H8+HO2<=>IC4H7+H2O2 1.928E+04 2.600 1.391E+04 REV/ 2.073E+06 1.933 1.358E+04 / !R1242 IC4H8+O2CHO<=>IC4H7+HO2CHO 1.928E+04 2.600 1.391E+04 REV/ 6.514E-07 4.900 -3.468E+03 / !R1243 IC4H8+O2<=>IC4H7+HO2 6.000E+12 0.000 3.990E+04 REV/ 5.848E+12 -0.320 8.830E+02 / !R1244 IC4H8+C3H5-A<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 4.400E+20 -1.330 6.061E+04 / !R1245 IC4H8+C3H5-S<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.592E+20 -1.270 8.217E+04 / !R1246 IC4H8+C3H5-T<=>IC4H7+C3H6 7.940E+11 0.000 2.050E+04 REV/ 5.592E+20 -1.270 8.017E+04 / !R1247 IC4H8+OH<=>IC4H7+H2O 5.200E+06 2.000 -2.980E+02 REV/ 1.025E+07 1.922 3.027E+04 / !R1248 IC4H8+O<=>IC3H7+HCO 1.580E+07 1.760 -1.216E+03 REV/ 4.538E+00 3.060 2.169E+04 / !R1249 IC4H8+CH3O2<=>IC4H7+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 4.034E+07 1.488 1.199E+04 / !R1250 IC4H8+HO2<=>IC4H8O+OH 1.290E+12 0.000 1.334E+04 REV/ 1.000E+12 0.000 7.500E+03 / !R1251 IC4H7+O2<=>IC3H5CHO+OH 2.470E+13 -0.450 2.302E+04 REV/ 3.372E+13 -0.577 7.301E+04 / !R1252 IC4H7+O2<=>CH3COCH2+CH2O 7.140E+15 -1.210 2.105E+04 REV/ 1.700E+12 -0.407 8.825E+04 / !R1253 IC4H7+O2<=>C3H4-A+CH2O+OH 7.290E+29 -5.710 2.145E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R1254 IC4H7+O<=>IC3H5CHO+H 6.030E+13 0.000 0.000E+00 REV/ 2.844E+16 -0.519 6.673E+04 / !R1255 IC4H7<=>C3H4-A+CH3 1.230E+47 -9.740 7.426E+04 REV/ 1.649E+38 -7.768 2.254E+04 / !R1256 CH3O2+IC4H7<=>CH3O+IC4H7O 7.000E+12 0.000 -1.000E+03 REV/ 2.138E+11 0.349 1.506E+04 / !R1257 IC4H7+HO2<=>IC4H7O+OH 7.000E+12 0.000 -1.000E+03 REV/ 3.418E+12 0.050 1.082E+04 / !R1258 IC4H7O<=>C3H5-T+CH2O 2.925E+21 -2.391 3.559E+04 REV/ 1.000E+11 0.000 1.260E+04 / !R1259 IC4H7O<=>IC4H6OH 1.391E+11 0.000 1.560E+04 REV/ 4.233E+11 -0.164 3.167E+04 / !R1260 IC4H7O<=>IC3H5CHO+H 5.000E+13 0.000 2.910E+04 REV/ 6.670E+13 -0.105 1.841E+04 / !R1261 IC4H6OH+H2<=>IC4H7OH+H 2.160E+04 2.380 1.899E+04 REV/ 5.614E+02 2.980 1.399E+03 / !R1262 IC4H6OH+HO2<=>IC4H7OH+O2 5.570E+13 -0.315 8.620E+02 REV/ 6.000E+13 0.000 3.990E+04 / !R1263 IC4H6OH+CH2O<=>IC4H7OH+HCO 6.300E+08 1.900 1.819E+04 REV/ 2.101E+07 2.153 1.773E+04 / !R1264 IC4H6OH+IC4H8<=>IC4H7OH+IC4H7 4.700E+02 3.300 1.984E+04 REV/ 2.814E-01 3.900 6.521E+03 / !R1265 IC4H7OH<=>IC4H6OH+H 4.902E+16 -0.400 8.985E+04 REV/ 1.000E+14 0.000 0.000E+00 / !R1266 IC4H7OH+HO2<=>IC4H6OH+H2O2 7.644E+03 2.712 1.393E+04 REV/ 7.830E+05 2.050 1.358E+04 / !R1267 IC4H6OH<=>C3H4-A+CH2OH 7.244E+19 -1.859 5.705E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R1268 IC4H7O+O2<=>IC3H5CHO+HO2 3.000E+10 0.000 1.649E+03 REV/ 6.312E+10 -0.140 3.898E+04 / !R1269 IC4H7O+HO2<=>IC3H5CHO+H2O2 3.000E+11 0.000 0.000E+00 REV/ 8.930E+14 -0.800 7.850E+04 / !R1270 IC4H7O+CH3<=>IC3H5CHO+CH4 2.400E+13 0.000 0.000E+00 REV/ 7.261E+16 -0.470 9.529E+04 / !R1271 IC4H7O+O<=>IC3H5CHO+OH 6.000E+12 0.000 0.000E+00 REV/ 3.052E+14 -0.470 9.272E+04 / !R1272 IC4H7O+OH<=>IC3H5CHO+H2O 1.810E+13 0.000 0.000E+00 REV/ 9.076E+15 -0.470 1.100E+05 / !R1273 IC4H7O+H<=>IC3H5CHO+H2 1.990E+13 0.000 0.000E+00 REV/ 2.305E+15 -0.470 9.481E+04 / !R1274 IC3H5CHO+OH<=>IC3H5CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 4.400E+10 0.780 3.608E+04 / !R1275 IC3H5CHO+HO2<=>IC3H5CO+H2O2 1.000E+12 0.000 1.192E+04 REV/ 9.709E+12 -0.310 1.688E+04 / !R1276 IC3H5CHO+CH3<=>IC3H5CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 3.928E+13 0.020 3.045E+04 / !R1277 IC3H5CHO+O<=>IC3H5CO+OH 7.180E+12 0.000 1.389E+03 REV/ 1.191E+12 0.020 2.056E+04 / !R1278 IC3H5CHO+O2<=>IC3H5CO+HO2 2.000E+13 0.000 4.070E+04 REV/ 1.824E+11 0.311 5.337E+03 / !R1279 IC3H5CHO+H<=>IC3H5CO+H2 2.600E+12 0.000 2.600E+03 REV/ 9.822E+11 0.020 2.387E+04 / !R1280 IC3H5CO<=>C3H5-T+CO 1.278E+20 -1.890 3.446E+04 REV/ 1.510E+11 0.000 4.809E+03 / !R1281 TC3H6CHO+HO2<=>TC3H6OCHO+OH 9.640E+12 0.000 0.000E+00 REV/ 2.018E+17 -1.200 2.101E+04 / !R1282 TC3H6OCHO<=>CH3COCH3+HCO 3.980E+13 0.000 9.700E+03 REV/ 2.173E+08 0.800 1.424E+04 / !R1283 TC3H6CHO<=>IC3H5CHO+H 1.325E+14 0.010 3.934E+04 REV/ 1.300E+13 0.000 1.200E+03 / !R1284 TC3H6CHO<=>IC3H6CO+H 4.086E+14 -0.072 4.241E+04 REV/ 1.300E+13 0.000 4.800E+03 / !R1285 TC3H6CHO+H2<=>IC3H7CHO+H 2.160E+05 2.380 1.899E+04 REV/ 1.319E+05 2.470 3.550E+03 / !R1286 IC4H7OOH<=>IC4H7O+OH 6.400E+15 0.000 4.555E+04 REV/ 1.000E+11 0.000 0.000E+00 / !R1287 IC4H7OH<=>IC4H7O+H 5.969E+16 -0.560 1.059E+05 REV/ 4.000E+13 0.000 0.000E+00 / !R1288 IC4H8OH<=>IC4H7OH+H 1.708E+12 0.277 3.885E+04 REV/ 1.000E+13 0.000 1.200E+03 / !R1289 IC4H7O+H2<=>IC4H7OH+H 9.050E+06 2.000 1.783E+04 REV/ 7.160E+05 2.440 1.631E+04 / !R1290 IC4H7OH<=>IC4H7+OH 7.310E+16 -0.410 7.970E+04 REV/ 3.000E+13 0.000 0.000E+00 / !R1291 IC4H7O+CH2O<=>IC4H7OH+HCO 1.150E+11 0.000 1.280E+03 REV/ 3.020E+11 0.000 1.816E+04 / !R1292 TC3H6CHO+CH2O<=>IC3H7CHO+HCO 2.520E+08 1.900 1.819E+04 REV/ 1.229E+07 1.990 1.742E+04 / !R1293 TC3H6CHO+IC4H8<=>IC3H7CHO+IC4H7 4.700E+02 3.300 1.984E+04 REV/ 6.613E+00 3.390 8.672E+03 / !R1294 IC3H6CO+OH<=>IC3H7+CO2 1.730E+12 0.000 -1.010E+03 REV/ 2.577E+14 -0.430 5.548E+04 / !R1297 TC3H6OH<=>CH3COCH3+H 5.000E+13 0.000 2.186E+04 REV/ 1.000E+12 0.000 0.000E+00 / !R1298 TC3H6OH<=>IC3H5OH+H 6.196E+15 -0.660 4.034E+04 REV/ 1.300E+13 0.000 1.560E+03 / !R1299 IC3H5OH<=>C3H5-T+OH 7.369E+19 -0.940 1.091E+05 REV/ 5.000E+13 0.000 0.000E+00 / !R1300 TC3H6O2CHO<=>TC3H6CHO+O2 2.458E+25 -4.065 2.708E+04 REV/ 1.990E+17 -2.100 0.000E+00 / !R1301 TC3H6O2CHO<=>IC3H5O2HCHO 6.000E+11 0.000 2.988E+04 REV/ 3.014E+12 -0.516 1.711E+04 / !R1302 TC3H6O2CHO<=>TC3H6O2HCO 1.000E+11 0.000 2.575E+04 REV/ 1.628E+12 -0.516 2.510E+04 / !R1303 IC3H5O2HCHO<=>IC3H5CHO+HO2 8.944E+20 -2.440 1.503E+04 REV/ 2.230E+11 0.000 1.060E+04 / !R1304 TC3H6O2HCO<=>CH3COCH3+CO+OH 4.244E+18 -1.430 4.800E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1305 TC3H6OH+O2<=>CH3COCH3+HO2 2.230E+13 0.000 0.000E+00 REV/ 6.529E+17 -1.190 2.561E+04 / !R1306 IC3H6CO+OH<=>TC3H6OH+CO 2.000E+12 0.000 -1.010E+03 REV/ 1.009E+09 0.900 3.154E+04 / !R1307 TC3H6CHO+O2<=>IC3H5CHO+HO2 2.725E-19 0.000 7.240E+03 REV/ 1.390E+11 -0.200 1.731E+04 / !R1308 TC3H6CHO+O2<=>CH3COCH3+CO+OH 3.620E-20 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R1309 TC3H6CHO+HO2<=>IC3H7CHO+O2 3.675E+12 0.000 1.310E+03 REV/ 1.236E+14 -0.240 4.335E+04 / !R1310 TC3H6CHO+CH3<=>IC3H5CHO+CH4 3.010E+12 -0.320 -1.310E+02 REV/ 2.207E+15 -0.850 6.790E+04 / !R1311 TC4H8CHO<=>IC3H5CHO+CH3 1.000E+13 0.000 2.629E+04 REV/ 2.230E+11 0.000 1.060E+04 / !R1312 TC4H8CHO<=>IC4H8+HCO 8.520E+12 0.000 2.009E+04 REV/ 1.000E+11 0.000 6.000E+03 / !R1313 O2C4H8CHO<=>TC4H8CHO+O2 1.519E+19 -1.440 3.451E+04 REV/ 2.000E+12 0.000 0.000E+00 / !R1314 O2C4H8CHO<=>O2HC4H8CO 2.160E+11 0.000 1.536E+04 REV/ 1.173E+13 -0.680 1.488E+04 / !R1315 O2HC4H8CO<=>IC4H8O2H-T+CO 3.299E+22 -2.720 1.176E+04 REV/ 1.500E+11 0.000 4.809E+03 / !R1316 IC4H7O+IC4H8<=>IC4H7OH+IC4H7 2.700E+11 0.000 4.000E+03 REV/ 1.000E+10 0.000 9.000E+03 / !R1317 IC4H6OH+HO2<=>CH2CCH2OH+CH2O+OH 1.446E+13 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R1324 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 / !R1326 CH2CCH2OH+O2<=>CH2OH+CO+CH2O 4.335E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R1327 CH2CCH2OH<=>C2H2+CH2OH 2.163E+40 -8.310 4.511E+04 REV/ 1.610E+40 -8.580 2.033E+04 / !R1328 CH2CCH2OH<=>C3H4-A+OH 6.697E+16 -1.110 4.258E+04 REV/ 8.500E+12 0.000 2.000E+03 / !R1329 IC5H12<=>IC3H7+C2H5 5.854E+25 -2.642 8.796E+04 REV/ 4.000E+12 0.000 -5.960E+02 / !R1330 IC5H12<=>SC4H9+CH3 2.686E+24 -2.259 8.898E+04 REV/ 4.000E+12 0.000 -5.960E+02 / !R1331 IC5H12<=>IC4H9+CH3 1.457E+22 -1.798 8.935E+04 REV/ 4.000E+12 0.000 -5.960E+02 / !R1332 IC5H12<=>AC5H11+H 6.764E+16 -0.358 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / !R1333 IC5H12<=>BC5H11+H 5.921E+18 -0.896 9.690E+04 REV/ 3.610E+13 0.000 0.000E+00 / !R1334 IC5H12<=>CC5H11+H 9.877E+17 -0.697 9.870E+04 REV/ 3.610E+13 0.000 0.000E+00 / !R1335 IC5H12<=>DC5H11+H 6.764E+16 -0.358 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / !R1336 IC5H12+H<=>AC5H11+H2 1.207E+06 2.540 6.756E+03 REV/ 2.575E+02 3.174 9.091E+03 / !R1337 IC5H12+H<=>BC5H11+H2 6.020E+05 2.400 2.583E+03 REV/ 1.467E+00 3.572 9.246E+03 / !R1338 IC5H12+H<=>CC5H11+H2 1.300E+06 2.400 4.471E+03 REV/ 1.899E+01 3.373 9.327E+03 / !R1339 IC5H12+H<=>DC5H11+H2 9.400E+04 2.750 6.280E+03 REV/ 2.005E+01 3.384 8.615E+03 / !R1340 IC5H12+O<=>AC5H11+OH 2.697E+07 2.034 5.136E+03 REV/ 2.986E+03 2.649 6.059E+03 / !R1341 IC5H12+O<=>BC5H11+OH 3.968E+05 2.401 1.150E+03 REV/ 5.019E-01 3.554 6.401E+03 / !R1342 IC5H12+O<=>CC5H11+OH 5.946E+05 2.439 2.846E+03 REV/ 4.509E+00 3.393 6.290E+03 / !R1343 IC5H12+O<=>DC5H11+OH 1.046E+06 2.424 4.766E+03 REV/ 1.158E+02 3.039 5.689E+03 / !R1344 IC5H12+OH<=>AC5H11+H2O 1.054E+10 0.970 1.590E+03 REV/ 2.384E+07 1.498 1.882E+04 / !R1345 IC5H12+OH<=>BC5H11+H2O 5.730E+10 0.510 6.300E+01 REV/ 1.480E+06 1.576 2.162E+04 / !R1346 IC5H12+OH<=>CC5H11+H2O 4.680E+07 1.610 -3.500E+01 REV/ 7.248E+03 2.477 1.971E+04 / !R1347 IC5H12+OH<=>DC5H11+H2O 5.240E+09 0.970 1.590E+03 REV/ 1.185E+07 1.498 1.882E+04 / !R1348 IC5H12+CH3<=>AC5H11+CH4 9.067E-01 3.650 7.154E+03 REV/ 1.764E-01 3.838 1.103E+04 / !R1349 IC5H12+CH3<=>BC5H11+CH4 6.010E-10 6.360 8.930E+02 REV/ 1.336E-12 7.086 9.096E+03 / !R1350 IC5H12+CH3<=>CC5H11+CH4 8.400E+04 2.133 7.574E+03 REV/ 1.119E+03 2.660 1.397E+04 / !R1351 IC5H12+CH3<=>DC5H11+CH4 4.520E-01 3.650 7.154E+03 REV/ 8.796E-02 3.838 1.103E+04 / !R1352 IC5H12+HO2<=>AC5H11+H2O2 4.080E+01 3.590 1.716E+04 REV/ 5.035E+00 3.529 3.495E+03 / !R1353 IC5H12+HO2<=>BC5H11+H2O2 6.504E+02 3.010 1.209E+04 REV/ 9.170E-01 3.487 2.756E+03 / !R1354 IC5H12+HO2<=>CC5H11+H2O2 6.320E+01 3.370 1.372E+04 REV/ 5.341E-01 3.648 2.574E+03 / !R1355 IC5H12+HO2<=>DC5H11+H2O2 2.040E+01 3.590 1.716E+04 REV/ 2.518E+00 3.529 3.495E+03 / !R1356 IC5H12+CH3O2<=>AC5H11+CH3O2H 4.080E+01 3.590 1.716E+04 REV/ 9.796E+01 3.084 1.900E+03 / !R1357 IC5H12+CH3O2<=>BC5H11+CH3O2H 6.504E+02 3.010 1.209E+04 REV/ 1.784E+01 3.042 1.161E+03 / !R1358 IC5H12+CH3O2<=>CC5H11+CH3O2H 6.320E+01 3.370 1.372E+04 REV/ 1.039E+01 3.203 9.790E+02 / !R1359 IC5H12+CH3O2<=>DC5H11+CH3O2H 2.040E+01 3.590 1.716E+04 REV/ 4.898E+01 3.084 1.900E+03 / !R1360 IC5H12+CH3O<=>AC5H11+CH3OH 3.200E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / !R1361 IC5H12+CH3O<=>BC5H11+CH3OH 1.900E+10 0.000 2.800E+03 REV/ 1.000E+10 0.000 5.200E+03 / !R1362 IC5H12+CH3O<=>CC5H11+CH3OH 1.100E+11 0.000 5.000E+03 REV/ 8.910E+09 0.000 7.200E+03 / !R1363 IC5H12+CH3O<=>DC5H11+CH3OH 1.580E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / !R1364 IC5H12+O2<=>AC5H11+HO2 4.200E+13 0.000 5.280E+04 REV/ 4.698E+10 0.286 4.510E+02 / !R1365 IC5H12+O2<=>BC5H11+HO2 7.000E+12 0.000 4.800E+04 REV/ 8.945E+07 0.824 -2.100E+01 / !R1366 IC5H12+O2<=>CC5H11+HO2 1.400E+13 0.000 5.016E+04 REV/ 1.072E+09 0.625 3.220E+02 / !R1367 IC5H12+O2<=>DC5H11+HO2 2.100E+13 0.000 5.280E+04 REV/ 2.349E+10 0.286 4.510E+02 / !R1368 IC5H12+C2H5<=>AC5H11+C2H6 1.000E+11 0.000 1.340E+04 REV/ 3.200E+11 0.000 1.230E+04 / !R1369 IC5H12+C2H5<=>BC5H11+C2H6 1.000E+11 0.000 7.900E+03 REV/ 3.000E+11 0.000 2.100E+04 / !R1370 IC5H12+C2H5<=>CC5H11+C2H6 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R1371 IC5H12+C2H5<=>DC5H11+C2H6 5.000E+10 0.000 1.340E+04 REV/ 3.240E+11 0.000 1.230E+04 / !R1372 IC5H12+C2H3<=>AC5H11+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.600E+12 0.000 2.540E+04 / !R1373 IC5H12+C2H3<=>BC5H11+C2H4 2.000E+11 0.000 1.430E+04 REV/ 2.500E+12 0.000 2.300E+04 / !R1374 IC5H12+C2H3<=>CC5H11+C2H4 3.980E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / !R1375 IC5H12+C2H3<=>DC5H11+C2H4 5.000E+11 0.000 1.800E+04 REV/ 2.510E+12 0.000 2.540E+04 / !R1376 IC5H12+AC5H11<=>BC5H11+IC5H12 2.500E+10 0.000 7.900E+03 REV/ 1.500E+11 0.000 1.230E+04 / !R1377 IC5H12+AC5H11<=>CC5H11+IC5H12 5.000E+10 0.000 1.040E+04 REV/ 1.500E+11 0.000 1.230E+04 / !R1378 IC5H12+AC5H11<=>DC5H11+IC5H12 7.500E+10 0.000 1.230E+04 REV/ 1.500E+11 0.000 1.230E+04 / !R1379 IC5H12+BC5H11<=>CC5H11+IC5H12 5.000E+10 0.000 1.040E+04 REV/ 2.500E+10 0.000 7.900E+03 / !R1380 IC5H12+BC5H11<=>DC5H11+IC5H12 7.500E+10 0.000 1.230E+04 REV/ 2.500E+10 0.000 7.900E+03 / !R1381 IC5H12+CC5H11<=>DC5H11+IC5H12 7.500E+10 0.000 1.230E+04 REV/ 5.000E+10 0.000 1.040E+04 / !R1382 IC5H12+O2CHO<=>AC5H11+HO2CHO 5.400E+04 2.500 1.669E+04 REV/ 3.830E+05 1.938 3.976E+03 / !R1383 IC5H12+O2CHO<=>BC5H11+HO2CHO 1.500E+04 2.500 1.226E+04 REV/ 1.215E+03 2.476 3.873E+03 / !R1384 IC5H12+O2CHO<=>CC5H11+HO2CHO 4.900E+04 2.500 1.486E+04 REV/ 2.380E+04 2.277 4.669E+03 / !R1385 IC5H12+O2CHO<=>DC5H11+HO2CHO 2.700E+04 2.500 1.669E+04 REV/ 1.915E+05 1.938 3.976E+03 / !R1386 AC5H11<=>C3H6+C2H5 2.907E+13 0.361 2.971E+04 REV/ 1.420E+03 2.670 6.850E+03 / !R1387 AC5H11<=>C4H8-1+CH3 4.835E+11 0.850 3.080E+04 REV/ 1.890E+03 2.670 6.850E+03 / !R1388 AC5H11<=>AC5H10+H 1.892E+13 0.194 3.422E+04 REV/ 6.250E+11 0.510 2.620E+03 / !R1389 AC5H11<=>DC5H11 3.000E+11 0.000 2.110E+04 REV/ 3.000E+11 0.000 2.110E+04 / !R1390 BC5H11<=>IC4H8+CH3 5.272E+10 1.192 3.022E+04 REV/ 4.400E+04 2.480 6.130E+03 / !R1391 BC5H11<=>AC5H10+H 3.665E+11 0.732 3.715E+04 REV/ 1.060E+12 0.510 1.230E+03 / !R1392 BC5H11<=>BC5H10+H 6.171E+11 0.487 3.558E+04 REV/ 6.250E+11 0.510 2.620E+03 / !R1393 CC5H11<=>C4H8-2+CH3 5.276E+10 0.935 3.062E+04 REV/ 1.890E+03 2.670 6.850E+03 / !R1394 CC5H11<=>BC5H10+H 1.480E+12 0.288 3.378E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R1395 CC5H11<=>CC5H10+H 6.262E+11 0.557 3.815E+04 REV/ 6.250E+11 0.510 2.620E+03 / !R1396 DC5H11<=>C2H4+IC3H7 1.237E+14 0.076 2.896E+04 REV/ 8.800E+03 2.480 6.130E+03 / !R1397 DC5H11<=>CC5H10+H 3.658E+12 0.218 3.563E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R1398 AC5H11+O2<=>AC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1399 BC5H11+O2<=>AC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1400 BC5H11+O2<=>BC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1401 CC5H11+O2<=>BC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1402 CC5H11+O2<=>CC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1403 DC5H11+O2<=>CC5H10+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1412 AC5H10<=>IC4H7+CH3 1.900E+20 -1.582 7.593E+04 REV/ 2.550E+13 -0.320 -1.310E+02 / !R1413 AC5H10<=>C3H5-T+C2H5 8.922E+24 -2.409 1.005E+05 REV/ 1.000E+13 0.000 0.000E+00 / !R1414 BC5H10<=>C4H72-2+CH3 1.217E+23 -1.926 1.014E+05 REV/ 1.000E+13 0.000 0.000E+00 / !R1415 BC5H10<=>IC4H7+CH3 2.610E+19 -1.017 7.902E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1416 CC5H10<=>C4H71-3+CH3 1.302E+21 -1.639 7.614E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1417 AC5H10+OH<=>SC4H9+CH2O 2.000E+10 0.000 4.000E+03 REV/ 2.000E+13 0.000 2.000E+04 / !R1418 BC5H10+OH<=>IC3H7+CH3CHO 2.000E+10 0.000 4.000E+03 REV/ 2.000E+13 0.000 2.000E+04 / !R1419 CC5H10+OH<=>IC4H9+CH2O 2.000E+10 0.000 4.000E+03 REV/ 2.000E+13 0.000 2.000E+04 / !R1420 AC5H10+O<=>SC4H9+HCO 7.230E+05 2.340 -1.050E+03 REV/ 2.000E+05 2.340 8.030E+04 / !R1421 AC5H10+O<=>IC3H7+CH3CO 7.230E+05 2.340 -1.050E+03 REV/ 2.000E+05 2.340 8.030E+04 / !R1422 AC5H10+O<=>IC4H9+HCO 7.230E+05 2.340 -1.050E+03 REV/ 2.000E+05 2.340 8.030E+04 / !R1423 AC5H10+H<=>AC5H9-A2+H2 1.730E+05 2.500 2.492E+03 REV/ 6.952E+06 1.890 2.010E+04 / !R1424 AC5H10+H<=>AC5H9-C+H2 3.376E+05 2.360 2.070E+02 REV/ 4.352E+06 2.100 2.033E+04 / !R1425 AC5H10+H<=>AC5H9-D+H2 6.651E+05 2.540 6.756E+03 REV/ 3.040E+04 2.540 1.104E+04 / !R1426 AC5H10+OH<=>AC5H9-A2+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.428E+08 1.390 3.247E+04 / !R1427 AC5H10+OH<=>AC5H9-C+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.543E+06 2.380 3.336E+04 / !R1428 AC5H10+OH<=>AC5H9-D+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.043E+09 0.970 2.102E+04 / !R1429 AC5H10+CH3<=>AC5H9-A2+CH4 2.210E+00 3.500 5.675E+03 REV/ 2.320E+03 2.890 2.377E+04 / !R1430 AC5H10+CH3<=>AC5H9-C+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.243E+03 3.050 2.460E+04 / !R1431 AC5H10+CH3<=>AC5H9-D+CH4 4.521E-01 3.650 7.154E+03 REV/ 5.398E-01 3.650 1.191E+04 / !R1432 AC5H10+HO2<=>AC5H9-A2+H2O2 9.639E+03 2.600 1.391E+04 REV/ 9.955E+06 1.660 1.521E+04 / !R1433 AC5H10+HO2<=>AC5H9-C+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.597E+06 1.960 1.434E+04 / !R1434 AC5H10+HO2<=>AC5H9-D+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.796E+04 2.220 4.466E+03 / !R1435 AC5H10+CH3O2<=>AC5H9-A2+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 2.073E+07 1.490 1.219E+04 / !R1436 AC5H10+CH3O2<=>AC5H9-C+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.326E+06 1.790 1.132E+04 / !R1437 AC5H10+CH3O2<=>AC5H9-D+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 5.822E+04 2.040 1.446E+03 / !R1438 AC5H10+CH3O<=>AC5H9-A2+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.744E+03 2.370 2.787E+04 / !R1439 AC5H10+CH3O<=>AC5H9-C+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.486E+02 2.670 2.700E+04 / !R1440 AC5H10+CH3O<=>AC5H9-D+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 4.782E+09 0.020 9.008E+03 / !R1441 BC5H10+H<=>AC5H9-C+H2 3.460E+05 2.500 2.492E+03 REV/ 1.274E+07 2.000 1.965E+04 / !R1442 BC5H10+H<=>CC5H9-B+H2 1.730E+05 2.500 2.492E+03 REV/ 7.021E+06 2.170 2.040E+04 / !R1443 BC5H10+OH<=>AC5H9-C+H2O 6.240E+06 2.000 -2.980E+02 REV/ 9.945E+08 1.500 3.202E+04 / !R1444 BC5H10+OH<=>CC5H9-B+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.482E+08 1.670 3.277E+04 / !R1445 BC5H10+CH3<=>AC5H9-C+CH4 4.420E+00 3.500 5.675E+03 REV/ 4.250E+03 3.000 2.332E+04 / !R1446 BC5H10+CH3<=>CC5H9-B+CH4 2.210E+00 3.500 5.675E+03 REV/ 2.343E+03 3.170 2.406E+04 / !R1447 BC5H10+HO2<=>AC5H9-C+H2O2 1.928E+04 2.600 1.391E+04 REV/ 1.824E+07 1.770 1.476E+04 / !R1448 BC5H10+HO2<=>CC5H9-B+H2O2 9.639E+03 2.600 1.391E+04 REV/ 1.005E+07 1.940 1.551E+04 / !R1449 BC5H10+CH3O2<=>AC5H9-C+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 3.798E+07 1.590 1.174E+04 / !R1450 BC5H10+CH3O2<=>CC5H9-B+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 2.094E+07 1.770 1.249E+04 / !R1451 BC5H10+CH3O<=>AC5H9-C+CH3OH 1.800E+02 2.950 1.199E+04 REV/ 3.194E+03 2.470 2.742E+04 / !R1452 BC5H10+CH3O<=>CC5H9-B+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.761E+03 2.640 2.817E+04 / !R1453 CC5H10+H<=>CC5H9-A+H2 1.330E+06 2.540 6.756E+03 REV/ 6.153E+04 2.540 1.103E+04 / !R1454 CC5H10+H<=>CC5H9-B+H2 2.650E+06 2.200 0.000E+00 REV/ 1.821E+07 2.140 2.228E+04 / !R1455 CC5H10+OH<=>CC5H9-A+H2O 1.054E+10 0.970 1.586E+03 REV/ 2.111E+09 0.970 2.102E+04 / !R1456 CC5H10+OH<=>CC5H9-B+H2O 6.140E+02 3.200 -3.500E+03 REV/ 1.827E+04 3.140 3.394E+04 / !R1457 CC5H10+CH3<=>CC5H9-A+CH4 9.042E-01 3.650 7.154E+03 REV/ 1.093E+00 3.650 1.191E+04 / !R1458 CC5H10+CH3<=>CC5H9-B+CH4 4.613E+00 3.100 2.330E+03 REV/ 8.280E+02 3.040 2.509E+04 / !R1459 CC5H10+HO2<=>CC5H9-A+H2O2 4.760E+04 2.550 1.649E+04 REV/ 5.660E+04 2.220 4.461E+03 / !R1460 CC5H10+HO2<=>CC5H9-B+H2O2 1.810E+03 2.500 7.154E+03 REV/ 3.196E+05 2.110 1.313E+04 / !R1461 CC5H10+CH3O2<=>CC5H9-A+CH3O2H 4.760E+04 2.550 1.649E+04 REV/ 1.179E+05 2.040 1.441E+03 / !R1462 CC5H10+CH3O2<=>CC5H9-B+CH3O2H 1.810E+03 2.500 7.154E+03 REV/ 6.656E+05 1.930 1.011E+04 / !R1463 CC5H10+CH3O<=>CC5H9-A+CH3OH 4.340E+11 0.000 6.458E+03 REV/ 9.680E+09 0.020 9.003E+03 / !R1464 CC5H10+CH3O<=>CC5H9-B+CH3OH 1.000E+01 2.850 5.231E+03 REV/ 3.313E+01 2.810 2.579E+04 / !R1465 AC5H9-A2+HO2<=>AC5H9O-A2+OH 9.640E+12 0.000 0.000E+00 REV/ 2.747E+13 -0.160 1.325E+04 / !R1466 AC5H9-A2+CH3O2<=>AC5H9O-A2+CH3O 9.640E+12 0.000 0.000E+00 REV/ 2.683E+15 -0.740 1.801E+04 / !R1467 AC5H9-A2+C2H5O2<=>AC5H9O-A2+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 1.756E+12 0.180 1.586E+04 / !R1468 AC5H9-C+HO2<=>AC5H9O-C+OH 9.640E+12 0.000 0.000E+00 REV/ 2.731E+15 -0.960 1.562E+04 / !R1469 AC5H9-C+CH3O2<=>AC5H9O-C+CH3O 9.640E+12 0.000 0.000E+00 REV/ 2.668E+17 -1.530 2.038E+04 / !R1470 AC5H9-C+C2H5O2<=>AC5H9O-C+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 1.746E+14 -0.610 1.822E+04 / !R1471 AC5H9-D<=>AC5H9-A2 1.113E+12 0.000 3.170E+04 REV/ 9.785E+14 -0.610 4.503E+04 / !R1472 CC5H9-B+HO2<=>CC5H9O-B+OH 9.640E+12 0.000 0.000E+00 REV/ 2.939E+15 -1.020 1.687E+04 / !R1473 CC5H9-B+CH3O2<=>CC5H9O-B+CH3O 9.640E+12 0.000 0.000E+00 REV/ 2.871E+17 -1.590 2.164E+04 / !R1474 CC5H9-B+C2H5O2<=>CC5H9O-B+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 1.879E+14 -0.670 1.948E+04 / !R1475 AC5H9O-A2<=>C4H71-2+CH2O 9.210E+17 -1.430 3.033E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R1476 AC5H9O-C<=>CH3CHO+C3H5-T 3.231E+22 -2.630 3.031E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R1477 CC5H9O-B<=>CH3COCH3+C2H3 7.813E+13 -0.250 2.233E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R1479 BC5H11O2<=>BC5H11+O2 3.224E+24 -2.470 3.782E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R1558 BC5H11O2<=>AC5H10+HO2 1.015E+43 -9.410 4.149E+04 REV/ 2.690E+32 -7.234 1.662E+04 / !R1559 BC5H11O2<=>BC5H10+HO2 5.044E+38 -8.110 4.049E+04 REV/ 4.683E+27 -5.689 1.858E+04 / !R1657 CH3CHCHO<=>C2H3CHO+H 3.515E+15 -0.510 4.106E+04 REV/ 6.500E+12 0.000 2.900E+03 / !R1658 CH3CHCHO<=>CH3CHCO+H 1.135E+16 -0.660 4.031E+04 REV/ 5.000E+12 0.000 1.200E+03 / !R1659 CH3CHCHO+H2<=>C2H5CHO+H 2.160E+05 2.380 1.899E+04 REV/ 4.309E+04 2.630 5.265E+03 / !R1781 CC6H13<=>C5H10-2+CH3 4.107E+18 -1.635 3.298E+04 REV/ 1.500E+11 0.000 9.200E+03 / !R1782 CC6H13<=>BC6H12+H 2.936E+13 -0.123 3.480E+04 REV/ 1.000E+13 0.000 3.200E+03 / !R1783 CC6H13<=>CC6H12+H 1.372E+13 -0.093 3.592E+04 REV/ 1.000E+13 0.000 2.900E+03 / !R1792 CC6H13+O2<=>BC6H12+HO2 1.500E-19 0.000 2.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1793 CC6H13+O2<=>CC6H12+HO2 3.000E-19 0.000 3.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R1800 AC6H12+OH<=>C5H11-2+CH2O 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1801 BC6H12+OH<=>CH3COCH3+NC3H7 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1802 BC6H12+OH<=>C2H5CHO+IC3H7 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1803 CC6H12+OH<=>IC4H9+CH3CHO 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1804 DC6H12+OH<=>DC5H11+CH2O 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1805 AC6H12+O<=>C5H11-2+HCO 1.000E+11 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1806 CC6H12+O<=>IC4H9+CH3CO 1.000E+11 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1807 DC6H12+O<=>DC5H11+HCO 1.000E+11 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R1808 AC6H12<=>IC4H7+C2H5 1.000E+16 0.000 7.100E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1809 BC6H12<=>CH3+CC5H9-B 1.000E+16 0.000 7.100E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1810 CC6H12<=>CH3+C5H92-4 1.000E+16 0.000 7.100E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1811 DC6H12<=>IC3H7+C3H5-A 1.000E+16 0.000 7.100E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R1812 AC6H12+H<=>AC6H11-A2+H2 1.730E+05 2.500 2.492E+03 REV/ 7.048E+06 1.890 2.010E+04 / !R1813 AC6H12+H<=>AC6H11-C+H2 3.376E+05 2.360 2.070E+02 REV/ 4.374E+06 2.100 2.033E+04 / !R1815 AC6H12+H<=>AC6H11-E+H2 6.651E+05 2.540 6.756E+03 REV/ 3.076E+04 2.540 1.104E+04 / !R1816 AC6H12+OH<=>AC6H11-A2+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.503E+08 1.390 3.247E+04 / !R1817 AC6H12+OH<=>AC6H11-C+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.551E+06 2.380 3.336E+04 / !R1819 AC6H12+OH<=>AC6H11-E+H2O 5.270E+09 0.970 1.586E+03 REV/ 1.055E+09 0.970 2.102E+04 / !R1820 AC6H12+CH3<=>AC6H11-A2+CH4 2.210E+00 3.500 5.675E+03 REV/ 2.352E+03 2.890 2.376E+04 / !R1821 AC6H12+CH3<=>AC6H11-C+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.249E+03 3.050 2.460E+04 / !R1823 AC6H12+CH3<=>AC6H11-E+CH4 4.521E-01 3.650 7.154E+03 REV/ 5.463E-01 3.650 1.191E+04 / !R1824 AC6H12+HO2<=>AC6H11-A2+H2O2 9.639E+03 2.600 1.391E+04 REV/ 1.009E+07 1.660 1.521E+04 / !R1825 AC6H12+HO2<=>AC6H11-C+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.605E+06 1.960 1.434E+04 / !R1827 AC6H12+HO2<=>AC6H11-E+H2O2 2.380E+04 2.550 1.649E+04 REV/ 2.829E+04 2.220 4.466E+03 / !R1828 AC6H12+CH3O2<=>AC6H11-A2+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 2.101E+07 1.490 1.219E+04 / !R1829 AC6H12+CH3O2<=>AC6H11-C+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.343E+06 1.790 1.132E+04 / !R1831 AC6H12+CH3O2<=>AC6H11-E+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 5.892E+04 2.040 1.446E+03 / !R1832 AC6H12+CH3O<=>AC6H11-A2+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.768E+03 2.360 2.787E+04 / !R1833 AC6H12+CH3O<=>AC6H11-C+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.499E+02 2.670 2.700E+04 / !R1835 AC6H12+CH3O<=>AC6H11-E+CH3OH 2.170E+11 0.000 6.458E+03 REV/ 4.839E+09 0.020 9.008E+03 / !R1836 BC6H12+H<=>AC6H11-C+H2 3.460E+05 2.500 2.492E+03 REV/ 9.180E+06 2.060 1.974E+04 / !R1837 BC6H12+H<=>CC6H11-B+H2 3.376E+05 2.360 2.070E+02 REV/ 2.496E+06 2.270 2.104E+04 / !R1839 BC6H12+OH<=>AC6H11-C+H2O 6.240E+06 2.000 -2.980E+02 REV/ 7.168E+08 1.560 3.211E+04 / !R1840 BC6H12+OH<=>CC6H11-B+H2O 2.764E+04 2.640 -1.919E+03 REV/ 8.847E+05 2.550 3.407E+04 / !R1842 BC6H12+CH3<=>AC6H11-C+CH4 4.420E+00 3.500 5.675E+03 REV/ 3.064E+03 3.060 2.341E+04 / !R1843 BC6H12+CH3<=>CC6H11-B+CH4 3.690E+00 3.310 4.002E+03 REV/ 7.126E+02 3.220 2.531E+04 / !R1845 BC6H12+HO2<=>AC6H11-C+H2O2 1.928E+04 2.600 1.391E+04 REV/ 1.315E+07 1.840 1.485E+04 / !R1846 BC6H12+HO2<=>CC6H11-B+H2O2 4.820E+03 2.550 1.053E+04 REV/ 9.158E+05 2.130 1.505E+04 / !R1848 BC6H12+CH3O2<=>AC6H11-C+CH3O2H 1.928E+04 2.600 1.391E+04 REV/ 2.738E+07 1.660 1.183E+04 / !R1849 BC6H12+CH3O2<=>CC6H11-B+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 1.907E+06 1.950 1.203E+04 / !R1851 BC6H12+CH3O<=>AC6H11-C+CH3OH 1.800E+02 2.950 1.199E+04 REV/ 2.302E+03 2.540 2.751E+04 / !R1852 BC6H12+CH3O<=>CC6H11-B+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 1.426E+02 2.830 2.771E+04 / !R1854 CC6H12+H<=>CC6H11-A+H2 1.330E+06 2.540 6.756E+03 REV/ 6.091E+04 2.540 1.105E+04 / !R1855 CC6H12+H<=>CC6H11-B+H2 2.650E+06 2.200 0.000E+00 REV/ 9.154E+06 2.140 2.225E+04 / !R1856 CC6H12+H<=>DC6H11-C+H2 1.730E+05 2.500 2.492E+03 REV/ 4.830E+06 2.060 2.002E+04 / !R1857 CC6H12+OH<=>CC6H11-A+H2O 1.054E+10 0.970 1.586E+03 REV/ 2.090E+09 0.970 2.103E+04 / !R1858 CC6H12+OH<=>CC6H11-B+H2O 6.140E+02 3.200 -3.500E+03 REV/ 9.183E+03 3.140 3.391E+04 / !R1859 CC6H12+OH<=>DC6H11-C+H2O 3.120E+06 2.000 -2.980E+02 REV/ 3.771E+08 1.560 3.239E+04 / !R1860 CC6H12+CH3<=>CC6H11-A+CH4 9.042E-01 3.650 7.154E+03 REV/ 1.082E+00 3.650 1.192E+04 / !R1861 CC6H12+CH3<=>CC6H11-B+CH4 4.613E+00 3.100 2.330E+03 REV/ 4.163E+02 3.040 2.506E+04 / !R1862 CC6H12+CH3<=>DC6H11-C+CH4 2.210E+00 3.500 5.675E+03 REV/ 1.612E+03 3.060 2.369E+04 / !R1863 CC6H12+HO2<=>CC6H11-A+H2O2 4.760E+04 2.550 1.649E+04 REV/ 5.603E+04 2.220 4.476E+03 / !R1864 CC6H12+HO2<=>CC6H11-B+H2O2 1.810E+03 2.500 7.154E+03 REV/ 1.607E+05 2.110 1.310E+04 / !R1865 CC6H12+HO2<=>DC6H11-C+H2O2 9.639E+03 2.600 1.391E+04 REV/ 6.917E+06 1.830 1.513E+04 / !R1866 CC6H12+CH3O2<=>CC6H11-A+CH3O2H 4.760E+04 2.550 1.649E+04 REV/ 1.167E+05 2.050 1.456E+03 / !R1867 CC6H12+CH3O2<=>CC6H11-B+CH3O2H 1.810E+03 2.500 7.154E+03 REV/ 3.346E+05 1.930 1.008E+04 / !R1868 CC6H12+CH3O2<=>DC6H11-C+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 1.440E+07 1.660 1.211E+04 / !R1869 CC6H12+CH3O<=>CC6H11-A+CH3OH 4.340E+11 0.000 6.458E+03 REV/ 9.583E+09 0.020 9.018E+03 / !R1870 CC6H12+CH3O<=>CC6H11-B+CH3OH 1.000E+01 2.850 5.231E+03 REV/ 1.665E+01 2.810 2.575E+04 / !R1871 CC6H12+CH3O<=>DC6H11-C+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.211E+03 2.540 2.779E+04 / !R1874 DC6H12+H<=>DC6H11-C+H2 3.376E+05 2.360 2.070E+02 REV/ 4.420E+06 2.100 2.034E+04 / !R1877 DC6H12+OH<=>DC6H11-C+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.567E+06 2.380 3.337E+04 / !R1880 DC6H12+CH3<=>DC6H11-C+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.262E+03 3.050 2.461E+04 / !R1883 DC6H12+HO2<=>DC6H11-C+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.622E+06 1.960 1.435E+04 / !R1886 DC6H12+CH3O2<=>DC6H11-C+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.378E+06 1.790 1.133E+04 / !R1889 DC6H12+CH3O<=>DC6H11-C+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.525E+02 2.660 2.701E+04 / !R1890 AC6H11-C+HO2<=>AC6H11O-C+OH 9.640E+12 0.000 0.000E+00 REV/ 1.774E+15 -0.900 1.556E+04 / !R1891 AC6H11-C+CH3O2<=>AC6H11O-C+CH3O 9.640E+12 0.000 0.000E+00 REV/ 1.732E+17 -1.470 2.033E+04 / !R1892 AC6H11-C+C2H5O2<=>AC6H11O-C+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 1.134E+14 -0.550 1.817E+04 / !R1893 AC6H11-E<=>AC6H11-A2 4.172E+11 0.000 2.640E+04 REV/ 3.674E+14 -0.610 3.973E+04 / !R1894 CC6H11-B+HO2<=>CC6H11O-B+OH 9.640E+12 0.000 0.000E+00 REV/ 5.162E+15 -1.000 1.707E+04 / !R1895 CC6H11-B+CH3O2<=>CC6H11O-B+CH3O 9.640E+12 0.000 0.000E+00 REV/ 5.042E+17 -1.570 2.183E+04 / !R1896 CC6H11-B+C2H5O2<=>CC6H11O-B+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 3.301E+14 -0.650 1.967E+04 / !R1897 DC6H11-C+HO2<=>DC6H11O-C+OH 9.640E+12 0.000 0.000E+00 REV/ 5.350E+14 -0.730 1.541E+04 / !R1898 DC6H11-C+CH3O2<=>DC6H11O-C+CH3O 9.640E+12 0.000 0.000E+00 REV/ 5.226E+16 -1.310 2.017E+04 / !R1899 DC6H11-C+C2H5O2<=>DC6H11O-C+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 3.421E+13 -0.380 1.801E+04 / !R1900 AC6H11O-C<=>C2H5CHO+C3H5-T 3.243E+22 -2.590 3.001E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R1901 CC6H11O-B<=>CH3COCH3+C3H5-S 7.180E+17 -1.200 2.837E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R1902 DC6H11O-C<=>IC3H7CHO+C2H3 9.555E+16 -1.190 2.336E+04 REV/ 1.000E+11 0.000 9.600E+03 / !R1903 DC6H11O-C<=>C2H3CHO+IC3H7 2.420E+16 -0.790 8.741E+03 REV/ 1.000E+11 0.000 9.600E+03 / !R1904 AC6H11-A2<=>C3H4-A+NC3H7 1.280E+28 -4.430 7.237E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R1907 AC6H11-E<=>C2H4+IC4H7 4.964E+23 -3.550 4.359E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R1909 CC6H11-A<=>C5H81-3+CH3 2.461E+12 -0.040 2.421E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R1914 CC6H13O2<=>CC6H13+O2 7.401E+22 -2.277 3.799E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R1976 CC6H13O2<=>BC6H12+HO2 4.530E+35 -7.220 3.949E+04 REV/ 3.292E+25 -4.892 1.877E+04 / !R1977 CC6H13O2<=>CC6H12+HO2 5.044E+38 -8.110 4.049E+04 REV/ 7.846E+28 -5.812 1.835E+04 / !R2281 TC3H6CH2COCH3<=>IC4H8+CH3CO 6.148E+17 -1.450 3.178E+04 REV/ 1.000E+11 0.000 1.260E+04 / !R2282 C5H10-1+OH<=>PC4H9+CH2O 2.000E+10 0.000 -4.000E+03 REV/ 3.000E+11 0.000 2.040E+04 / !R2283 C5H10-2+OH<=>C2H5+C2H5CHO 1.000E+10 0.000 -4.000E+03 REV/ 2.000E+13 0.000 2.000E+04 / !R2284 C5H10-2+OH<=>NC3H7+CH3CHO 2.000E+10 0.000 -4.000E+03 REV/ 2.000E+13 0.000 2.000E+04 / !R2285 C5H10-2+O<=>C3H6+CH3CHO 1.000E+10 0.000 0.000E+00 REV/ 1.000E+12 0.000 8.100E+04 / !R2286 C5H10-1+O<=>PC4H9+HCO 1.000E+11 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2287 C5H10-1+O<=>NC3H7+CH3CO 1.000E+11 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2289 NC4H9CHO+HO2<=>C4H8CHO-2+H2O2 1.475E+04 2.600 1.391E+04 REV/ 1.282E+03 2.600 4.399E+03 / !R2290 NC4H9CHO+HO2<=>C4H8CHO-3+H2O2 1.475E+04 2.600 1.391E+04 REV/ 1.282E+03 2.600 4.399E+03 / !R2291 NC4H9CHO+HO2<=>C4H8CHO-4+H2O2 2.950E+04 2.600 1.391E+04 REV/ 4.506E+06 2.000 1.135E+04 / !R2293 NC4H9CHO+CH3O2<=>C4H8CHO-2+CH3O2H 1.990E+12 0.000 1.705E+04 REV/ 7.106E+11 -0.180 6.821E+03 / !R2294 NC4H9CHO+CH3O2<=>C4H8CHO-3+CH3O2H 1.990E+12 0.000 1.705E+04 REV/ 7.106E+11 -0.180 6.821E+03 / !R2295 NC4H9CHO+CH3O2<=>C4H8CHO-4+CH3O2H 3.980E+12 0.000 1.705E+04 REV/ 2.498E+15 -0.770 1.377E+04 / !R2354 IC4H7-I1<=>C3H4-P+CH3 2.103E+12 0.080 2.995E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R2405 XC7H15<=>C3H6+IC4H9 8.429E+20 -2.220 3.242E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R2406 XC7H15<=>DC6H12+CH3 2.009E+19 -1.803 3.333E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R2407 XC7H15<=>XC7H14+H 5.612E+14 -0.291 3.445E+04 REV/ 2.600E+13 0.000 2.500E+03 / !R2408 YC7H15<=>IC3H7+IC4H8 2.220E+20 -2.060 3.247E+04 REV/ 5.000E+10 0.000 9.200E+03 / !R2409 YC7H15<=>XC7H14+H 1.437E+13 0.230 3.769E+04 REV/ 2.600E+13 0.000 1.200E+03 / !R2410 YC7H15<=>YC7H14+H 3.093E+13 0.049 3.639E+04 REV/ 2.600E+13 0.000 2.500E+03 / !R2411 ZC7H15<=>CC6H12+CH3 2.906E+18 -1.641 3.325E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R2412 ZC7H15<=>YC7H14+H 8.198E+13 -0.132 3.437E+04 REV/ 2.600E+13 0.000 2.500E+03 / !R2413 XC7H15+O2<=>XC7H14+HO2 1.500E-29 0.000 2.000E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R2414 YC7H15+O2<=>XC7H14+HO2 6.000E-29 0.000 5.020E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R2415 YC7H15+O2<=>YC7H14+HO2 3.000E-29 0.000 3.000E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R2416 ZC7H15+O2<=>YC7H14+HO2 3.000E-29 0.000 2.000E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R2417 XC7H15<=>YC7H15 3.708E+11 0.000 2.372E+04 REV/ 9.491E+09 0.521 2.826E+04 / !R2418 XC7H14<=>IC3H7+IC4H7 2.211E+24 -2.392 7.467E+04 REV/ 1.280E+14 -0.350 0.000E+00 / !R2419 YC7H14<=>CH3+CC6H11-B 4.469E+22 -2.128 7.543E+04 REV/ 1.930E+14 -0.320 0.000E+00 / !R2421 YC7H15+HO2<=>YC7H15O+OH 7.000E+12 0.000 -1.000E+03 REV/ 2.414E+18 -1.326 2.840E+04 / !R2424 YC7H15+CH3O2<=>YC7H15O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.510E+17 -1.027 3.264E+04 / !R2427 XC7H14+OH<=>CH3COCH3+IC4H9 2.000E+10 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2428 YC7H14+OH<=>CH3COCH3+IC4H9 2.000E+10 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2429 XC7H14+O<=>CH2O+CC6H12 2.000E+10 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2430 YC7H14+O<=>CH3COCH3+IC4H8 2.000E+10 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2431 XC7H14+H<=>XC7H13-X1+H2 1.730E+05 2.500 2.492E+03 REV/ 7.047E+06 1.890 2.013E+04 / !R2432 XC7H14+H<=>XC7H13-Z+H2 3.376E+05 2.360 2.070E+02 REV/ 4.418E+06 2.100 2.037E+04 / !R2433 XC7H14+H<=>XC7H13-Y2+H2 6.020E+05 2.400 2.583E+03 REV/ 4.739E+02 2.970 1.118E+04 / !R2434 XC7H14+H<=>XC7H13-X2+H2 1.330E+06 2.540 6.756E+03 REV/ 6.881E+04 2.520 1.108E+04 / !R2435 XC7H14+OH<=>XC7H13-X1+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.503E+08 1.390 3.250E+04 / !R2436 XC7H14+OH<=>XC7H13-Z+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.566E+06 2.380 3.340E+04 / !R2437 XC7H14+OH<=>XC7H13-Y2+H2O 5.733E+10 0.510 6.300E+01 REV/ 1.954E+08 1.080 2.382E+04 / !R2438 XC7H14+OH<=>XC7H13-X2+H2O 1.054E+10 0.970 1.586E+03 REV/ 2.361E+09 0.950 2.106E+04 / !R2439 XC7H14+CH3<=>XC7H13-X1+CH4 2.210E+00 3.500 5.675E+03 REV/ 2.352E+03 2.890 2.380E+04 / !R2440 XC7H14+CH3<=>XC7H13-Z+CH4 3.690E+00 3.310 4.002E+03 REV/ 1.262E+03 3.050 2.464E+04 / !R2441 XC7H14+CH3<=>XC7H13-Y2+CH4 6.010E-10 6.360 8.930E+02 REV/ 1.236E-11 6.940 9.973E+03 / !R2442 XC7H14+CH3<=>XC7H13-X2+CH4 9.042E-01 3.650 7.154E+03 REV/ 1.222E+00 3.630 1.195E+04 / !R2443 XC7H14+HO2<=>XC7H13-X1+H2O2 9.639E+03 2.600 1.391E+04 REV/ 1.009E+07 1.660 1.524E+04 / !R2444 XC7H14+HO2<=>XC7H13-Z+H2O2 4.820E+03 2.550 1.053E+04 REV/ 1.621E+06 1.960 1.438E+04 / !R2445 XC7H14+HO2<=>XC7H13-Y2+H2O2 3.610E+03 2.550 1.053E+04 REV/ 7.304E+01 2.800 2.824E+03 / !R2446 XC7H14+HO2<=>XC7H13-X2+H2O2 4.760E+04 2.550 1.649E+04 REV/ 6.330E+04 2.200 4.506E+03 / !R2447 XC7H14+CH3O2<=>XC7H13-X1+CH3O2H 9.639E+03 2.600 1.391E+04 REV/ 2.101E+07 1.490 1.222E+04 / !R2448 XC7H14+CH3O2<=>XC7H13-Z+CH3O2H 4.820E+03 2.550 1.053E+04 REV/ 3.376E+06 1.790 1.136E+04 / !R2449 XC7H14+CH3O2<=>XC7H13-Y2+CH3O2H 3.610E+03 2.550 1.053E+04 REV/ 1.521E+02 2.620 -1.960E+02 / !R2450 XC7H14+CH3O2<=>XC7H13-X2+CH3O2H 4.760E+04 2.550 1.649E+04 REV/ 1.318E+05 2.030 1.486E+03 / !R2451 XC7H14+CH3O<=>XC7H13-X1+CH3OH 9.000E+01 2.950 1.199E+04 REV/ 1.767E+03 2.360 2.790E+04 / !R2452 XC7H14+CH3O<=>XC7H13-Z+CH3OH 4.000E+01 2.900 8.609E+03 REV/ 2.524E+02 2.660 2.704E+04 / !R2453 XC7H14+CH3O<=>XC7H13-Y2+CH3OH 2.290E+10 0.000 2.873E+03 REV/ 8.692E+06 0.600 9.743E+03 / !R2454 XC7H14+CH3O<=>XC7H13-X2+CH3OH 4.340E+11 0.000 6.458E+03 REV/ 1.083E+10 0.000 9.048E+03 / !R2455 YC7H14+H<=>XC7H13-Z+H2 3.460E+05 2.500 2.492E+03 REV/ 9.749E+06 2.060 2.005E+04 / !R2456 YC7H14+H<=>YC7H13-Y2+H2 2.650E+06 2.200 0.000E+00 REV/ 1.836E+07 2.140 2.229E+04 / !R2457 YC7H14+H<=>YC7H13-X2+H2 1.330E+06 2.540 6.756E+03 REV/ 6.176E+04 2.540 1.108E+04 / !R2458 YC7H14+OH<=>XC7H13-Z+H2O 6.240E+06 2.000 -2.980E+02 REV/ 7.613E+08 1.560 3.242E+04 / !R2459 YC7H14+OH<=>YC7H13-Y2+H2O 6.140E+02 3.200 -3.500E+03 REV/ 1.842E+04 3.140 3.394E+04 / !R2460 YC7H14+OH<=>YC7H13-X2+H2O 1.054E+10 0.970 1.586E+03 REV/ 2.119E+09 0.970 2.106E+04 / !R2461 XC7H13-X1<=>C3H4-A+IC4H9 8.708E+21 -2.430 5.953E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R2462 XC7H13-Z<=>ACC6H10+CH3 2.837E+16 -0.830 4.123E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R2463 XC7H13-Z+HO2<=>XC7H13O-Z+OH 9.640E+12 0.000 0.000E+00 REV/ 5.406E+14 -0.730 1.538E+04 / !R2464 XC7H13-Z+CH3O2<=>XC7H13O-Z+CH3O 9.640E+12 0.000 0.000E+00 REV/ 5.280E+16 -1.310 2.014E+04 / !R2465 XC7H13-Z+C2H5O2<=>XC7H13O-Z+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 3.456E+13 -0.380 1.798E+04 / !R2466 XC7H13-Y2<=>IC4H8+C3H5-T 6.321E+18 -1.800 4.360E+04 REV/ 5.000E+10 0.000 8.800E+03 / !R2467 XC7H13-X2<=>C3H6+IC4H7 2.096E+16 -1.090 1.782E+04 REV/ 7.500E+10 0.000 9.200E+03 / !R2468 YC7H13-Y2+HO2<=>YC7H13O-Y2+OH 9.640E+12 0.000 0.000E+00 REV/ 2.111E+15 -0.970 1.700E+04 / !R2469 YC7H13-Y2+CH3O2<=>YC7H13O-Y2+CH3O 9.640E+12 0.000 0.000E+00 REV/ 2.062E+17 -1.550 2.176E+04 / !R2470 YC7H13-Y2+C2H5O2<=>YC7H13O-Y2+C2H5O 9.640E+12 0.000 0.000E+00 REV/ 1.350E+14 -0.620 1.961E+04 / !R2471 YC7H13-X2<=>C3H6+IC4H7-I1 1.226E+18 -1.370 4.384E+04 REV/ 7.500E+10 0.000 9.200E+03 / !R2472 XC7H13O-Z<=>IC3H7CHO+C3H5-T 7.521E+21 -2.400 3.019E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R2473 YC7H13O-Y2<=>CH3COCH3+IC4H7-I1 1.310E+18 -1.300 2.942E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R2475 YC7H15O2<=>YC7H15+O2 3.408E+23 -2.448 3.721E+04 REV/ 3.000E+12 0.000 0.000E+00 / !R2476 ZC7H15O2<=>ZC7H15+O2 2.969E+22 -2.221 3.794E+04 REV/ 2.250E+12 0.000 0.000E+00 / !R2481 YC7H15+YC7H15O2<=>YC7H15O+YC7H15O 7.000E+12 0.000 -1.000E+03 REV/ 5.358E+16 -0.996 3.291E+04 / !R2487 YC7H15O2+HO2<=>YC7H15O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.785E+13 -0.793 3.361E+04 / !R2490 YC7H15O2+H2O2<=>YC7H15O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R2493 YC7H15O2+CH3O2<=>YC7H15O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2498 YC7H15O2+YC7H15O2<=>O2+YC7H15O+YC7H15O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2502 YC7H15O2H<=>YC7H15O+OH 1.000E+16 0.000 3.900E+04 REV/ 1.403E+07 1.915 -5.702E+03 / !R2505 YC7H15O<=>IC4H9+CH3COCH3 8.190E+23 -2.926 1.802E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R2512 YC7H15O2<=>YC7H14OOH-X1 6.000E+11 0.000 2.940E+04 REV/ 1.457E+12 -0.508 1.394E+04 / !R2513 YC7H15O2<=>YC7H14OOH-Z 2.000E+11 0.000 2.685E+04 REV/ 2.114E+10 -0.108 1.384E+04 / !R2514 YC7H15O2<=>YC7H14OOH-Y2 1.250E+10 0.000 1.910E+04 REV/ 2.789E+08 0.061 7.940E+03 / !R2515 YC7H15O2<=>YC7H14OOH-X2 9.376E+09 0.000 2.235E+04 REV/ 2.277E+10 -0.508 6.890E+03 / !R2519 YC7H15O2<=>XC7H14+HO2 1.015E+43 -9.410 4.149E+04 REV/ 3.387E+32 -7.264 1.666E+04 / !R2520 YC7H15O2<=>YC7H14+HO2 5.044E+38 -8.110 4.049E+04 REV/ 7.817E+27 -5.783 1.826E+04 / !R2521 ZC7H15O2<=>YC7H14+HO2 9.060E+35 -7.220 3.949E+04 REV/ 4.562E+25 -4.939 1.855E+04 / !R2529 YC7H14OOH-Y2<=>Y-YC7H14O+OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2530 YC7H14OOH-X2<=>X-Y2C7H14O+OH 9.375E+09 0.000 7.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2534 YC7H14OOH-X1<=>XC7H14+HO2 4.188E+22 -2.654 2.127E+04 REV/ 5.754E+11 0.000 1.190E+04 / !R2535 YC7H14OOH-Z<=>YC7H14+HO2 9.834E+20 -2.435 1.873E+04 REV/ 1.442E+11 0.000 9.512E+03 / !R2539 YC7H14OOH-Y2<=>OH+CH3COCH3+IC4H8 5.000E+13 0.000 2.550E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2548 YC7H14OOH-Y2O2<=>YC7H14OOH-Y2+O2 1.203E+24 -2.526 3.748E+04 REV/ 3.000E+12 0.000 0.000E+00 / !R2569 X-Y2C7H14O+OH<=>IC4H8+CH3CHCHO+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2571 Y-YC7H14O+OH<=>CH3COCH3+IC4H7+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2576 X-Y2C7H14O+OH<=>CH3COCH3+IC4H7+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2578 Y-YC7H14O+OH<=>CH3COCH3+IC4H7-I1+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2583 X-Y2C7H14O+HO2<=>IC4H8+CH3CHCHO+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2585 Y-YC7H14O+HO2<=>CH3COCH3+IC4H7+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2590 X-Y2C7H14O+HO2<=>CH3COCH3+IC4H7+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2592 Y-YC7H14O+HO2<=>CH3COCH3+IC4H7-I1+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2600 ACC6H10+OH<=>ACC6H9-A+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.491E+08 1.390 3.246E+04 / !R2601 ACC6H10+OH<=>ACC6H9-D+H2O 3.120E+06 2.000 -2.980E+02 REV/ 5.491E+08 1.390 3.246E+04 / !R2602 ACC6H10+HO2<=>ACC6H9-A+H2O2 9.640E+03 2.600 1.391E+04 REV/ 1.007E+07 1.660 1.521E+04 / !R2603 ACC6H10+HO2<=>ACC6H9-D+H2O2 9.640E+03 2.600 1.391E+04 REV/ 1.007E+07 1.660 1.521E+04 / !R2604 ACC6H10+CH3O2<=>ACC6H9-A+CH3O2H 9.640E+03 2.600 1.391E+04 REV/ 4.139E+07 1.490 1.449E+04 / !R2605 ACC6H10+CH3O2<=>ACC6H9-D+CH3O2H 9.640E+03 2.600 1.391E+04 REV/ 4.139E+07 1.490 1.449E+04 / !R2606 ACC6H9-A<=>C3H4-A+C3H5-S 1.194E+24 -2.850 7.431E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R2607 ACC6H9-D+HO2<=>IC3H5CHO+C2H3+OH 8.910E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R2623 NEOC5H11<=>IC4H8+CH3 8.466E+17 -1.111 3.293E+04 REV/ 1.300E+03 2.480 8.520E+03 / !R2624 NEOC5H11+HO2<=>NEOC5H11O+OH 7.000E+12 0.000 -1.000E+03 REV/ 1.447E+11 0.802 2.490E+04 / !R2625 NEOC5H11+CH3O2<=>NEOC5H11O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 9.052E+09 1.101 2.914E+04 / !R2626 NEOC5H11O2<=>NEOC5H11+O2 9.747E+20 -2.437 3.453E+04 REV/ 1.990E+17 -2.100 0.000E+00 / !R2628 NEOC5H11+NEOC5H11O2<=>NEOC5H11O+NEOC5H11O 7.000E+12 0.000 -1.000E+03 REV/ 4.468E+09 1.149 2.861E+04 / !R2629 NEOC5H11O2+HO2<=>NEOC5H11O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.841E+13 -0.795 3.362E+04 / !R2630 NEOC5H11O2+H2O2<=>NEOC5H11O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R2631 NEOC5H11O2+CH3O2<=>NEOC5H11O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2632 NEOC5H11O2+NEOC5H11O2<=>O2+NEOC5H11O+NEOC5H11O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2633 NEOC5H11O2H<=>NEOC5H11O+OH 1.500E+16 0.000 4.250E+04 REV/ 2.885E+07 1.935 -3.022E+03 / !R2634 NEOC5H11O<=>CH2O+TC4H9 2.649E+25 -3.248 2.393E+04 REV/ 2.000E+11 0.000 1.190E+04 / !R2635 NEOC5H11O2<=>NEOC5H10OOH 1.125E+11 0.000 2.440E+04 REV/ 9.144E+10 -0.509 8.950E+03 / !R2637 NEOC5H10OOH<=>OH+CH2O+IC4H8 3.011E+17 -1.170 2.995E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R2638 NEOC5H10OOH<=>IC4H7OOH+CH3 9.027E+21 -2.341 3.283E+04 REV/ 1.250E+11 0.000 1.010E+04 / !R2639 NEOC5H10OOH-O2<=>NEOC5H10OOH+O2 1.366E+25 -3.736 3.570E+04 REV/ 1.990E+17 -2.100 0.000E+00 / !R2641 NEOC5H10OOH-O2<=>NEOC5H9Q2-N 2.500E+10 0.000 2.140E+04 REV/ 4.436E+10 -0.513 1.096E+04 / !R2644 NEOC5H9Q2-N<=>NEOC5KET+OH 9.000E+14 0.000 1.500E+03 REV/ 1.668E+09 1.580 3.188E+04 / !R2645 NEOC5KET<=>NEOC5KETOX+OH 1.500E+16 0.000 4.200E+04 REV/ 2.009E+09 1.510 -4.125E+03 / !R2646 NEOC5KETOX<=>TC3H6CHO+CH2O 2.475E+21 -2.540 1.583E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R2647 NEOC5KETOX<=>NEOC5KEJOL 2.000E+11 0.000 7.600E+03 REV/ 2.541E+09 0.430 2.227E+04 / !R2648 NEOC5KEJOL<=>IC4H8OH+CO 2.273E+21 -2.340 1.102E+04 REV/ 1.250E+11 0.000 4.800E+03 / !R2716 NEOC6H12<=>CH3+CC5H9-B 1.532E+23 -2.199 7.419E+04 REV/ 1.000E+13 0.000 0.000E+00 / !R2717 NEOC6H12+OH<=>NEOC6H11+H2O 3.000E+13 0.000 1.230E+03 REV/ 9.796E+10 0.584 1.048E+04 / !R2718 NEOC6H12+H<=>NEOC6H11+H2 3.700E+13 0.000 3.900E+03 REV/ 1.135E+10 0.690 -1.740E+03 / !R2719 NEOC6H12+CH3<=>NEOC6H11+CH4 1.000E+12 0.000 7.300E+03 REV/ 2.801E+11 0.244 3.200E+03 / !R2720 NEOC6H12+O<=>NEOC6H11+OH 4.345E+15 -0.670 3.695E+04 REV/ 7.000E+11 0.000 2.990E+04 / !R2721 NEOC6H12+OH<=>NEOC5H11+CH2O 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2722 NEOC6H12+O<=>NEOC5H11+HCO 1.000E+11 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R2723 NEOC6H11<=>IC4H8+C2H3 4.792E+17 -1.230 2.964E+04 REV/ 7.500E+10 0.000 1.060E+04 / !R2825 TC4H9CHO+HO2<=>TC4H9CO+H2O2 1.000E+12 0.000 1.192E+04 REV/ 3.852E+12 -0.330 1.200E+04 / !R2826 TC4H9CHO+CH3<=>TC4H9CO+CH4 3.980E+12 0.000 8.700E+03 REV/ 1.558E+13 0.000 2.557E+04 / !R2827 TC4H9CHO+O<=>TC4H9CO+OH 7.180E+12 0.000 1.389E+03 REV/ 4.726E+11 0.000 1.568E+04 / !R2828 TC4H9CHO+O2<=>TC4H9CO+HO2 4.000E+13 0.000 3.760E+04 REV/ 1.089E+11 0.320 -3.492E+03 / !R2829 TC4H9CHO+OH<=>TC4H9CO+H2O 2.690E+10 0.760 -3.400E+02 REV/ 1.746E+10 0.760 3.120E+04 / !R2830 TC4H9CO<=>TC4H9+CO 2.517E+23 -2.881 1.349E+04 REV/ 1.500E+11 0.000 4.810E+03 / !R2831 TC4H9CHO+OH<=>TC4H8CHO+H2O 2.290E+08 1.530 7.750E+02 REV/ 7.775E+06 1.520 2.021E+04 / !R2832 TC4H9CHO+H<=>TC4H8CHO+H2 1.810E+06 2.540 6.756E+03 REV/ 1.419E+04 2.530 1.104E+04 / !R2833 TC4H9CHO+HO2<=>TC4H8CHO+H2O2 3.010E+04 2.550 1.550E+04 REV/ 6.067E+03 2.220 3.472E+03 / !R2834 TC4H9CHO+CH3<=>TC4H8CHO+CH4 1.360E+00 3.650 7.154E+03 REV/ 2.786E-01 3.640 1.191E+04 / !R2835 TC4H9CHO+CH3O<=>TC4H8CHO+CH3OH 4.820E+11 0.000 7.313E+03 REV/ 1.822E+09 0.020 9.863E+03 / !R2836 TC4H9CHO+CH3O2<=>TC4H8CHO+CH3O2H 3.010E+04 2.550 1.550E+04 REV/ 2.493E+04 2.040 2.752E+03 / !R2896 C4H7CHO2-2+OH<=>C4H7CO2-2+H2O 3.370E+12 0.000 -6.160E+02 REV/ 5.586E+12 0.020 3.680E+04 / !R2897 C4H7CHO2-2+OH<=>C4H6CHO2-21+H2O 8.420E+11 0.000 -7.810E+02 REV/ 1.779E+14 -0.640 3.198E+04 / !R2898 C4H7CHO2-2+OH<=>C4H6CHO2-24+H2O 8.420E+11 0.000 -7.810E+02 REV/ 1.779E+14 -0.640 3.198E+04 / !R2899 C4H7CHO2-2+OH<=>CH3CHO+CH3CHCHO 1.000E+11 0.000 0.000E+00 REV/ 8.906E+07 2.140 1.348E+04 / !R2900 C4H7CHO2-2+HO2<=>C4H7CO2-2+H2O2 1.000E+12 0.000 1.192E+04 REV/ 9.840E+12 -0.310 1.788E+04 / !R2901 C4H7CHO2-2+HO2<=>C4H6CHO2-21+H2O2 1.000E+04 2.550 1.550E+04 REV/ 1.254E+07 1.580 1.680E+04 / !R2902 C4H7CHO2-2+HO2<=>C4H6CHO2-24+H2O2 1.000E+04 2.550 1.550E+04 REV/ 1.254E+07 1.580 1.680E+04 / !R2903 C4H7CHO2-2+HO2<=>CH3CHO+C2H3CHO+OH 6.030E+09 0.000 7.949E+03 REV/ 1.000E+00 0.000 0.000E+00 / !R2904 C4H7CHO2-2+CH3O2<=>C4H7CO2-2+CH3O2H 2.800E+12 0.000 1.360E+04 REV/ 1.132E+14 -0.480 1.884E+04 / !R2905 C4H7CHO2-2+CH3O2<=>C4H6CHO2-21+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 1.226E+08 1.400 1.707E+04 / !R2906 C4H7CHO2-2+CH3O2<=>C4H6CHO2-24+CH3O2H 2.380E+04 2.550 1.649E+04 REV/ 1.226E+08 1.400 1.707E+04 / !R2907 C4H7CHO2-2+CH3O2<=>CH3CHO+CH3CHCO+CH3O 3.970E+11 0.000 1.705E+04 REV/ 1.000E+00 0.000 0.000E+00 / !R2908 C4H7CO2-2<=>C4H72-2+CO 4.683E+20 -3.441 4.136E+04 REV/ 1.500E+11 0.000 4.810E+03 / !R2909 C4H6CHO2-21<=>CH2CCHCH3+HCO 4.000E+14 0.000 1.330E+04 REV/ 3.480E+10 0.590 1.382E+04 / !R2910 C4H6CHO2-24<=>CH2CCHCH3+HCO 2.852E+14 -1.580 6.054E+04 REV/ 8.000E+10 0.000 1.160E+04 / !R2922 IC3H6CHCHO+OH<=>IC3H6CHCO+H2O 3.370E+12 0.000 -6.160E+02 REV/ 5.784E+12 0.010 3.681E+04 / !R2924 IC3H6CHCHO+OH<=>TC3H6CHO+CH2O 1.000E+11 0.000 0.000E+00 REV/ 1.394E+11 0.110 1.608E+04 / !R2999 NC7H15<=>IC4H8+NC3H7 7.638E+22 -2.615 3.257E+04 REV/ 1.500E+11 0.000 1.060E+04 / !R3000 NC7H15<=>AC6H12+CH3 1.250E+21 -2.183 3.428E+04 REV/ 1.500E+11 0.000 1.060E+04 / !R3001 OC7H15<=>BC6H12+CH3 4.955E+20 -2.013 3.392E+04 REV/ 1.500E+11 0.000 1.060E+04 / !R3002 OC7H15<=>NEOC6H12+CH3 2.373E+17 -1.354 3.250E+04 REV/ 1.500E+11 0.000 7.200E+03 / !R3003 OC7H15<=>OC7H14+H 3.331E+13 -0.086 3.626E+04 REV/ 2.600E+13 0.000 2.500E+03 / !R3004 PC7H15<=>TC4H9+C3H6 2.308E+23 -2.801 2.934E+04 REV/ 1.500E+11 0.000 7.200E+03 / !R3005 PC7H15<=>PC7H14+H 1.528E+13 0.097 3.681E+04 REV/ 2.600E+13 0.000 1.200E+03 / !R3006 PC7H15<=>OC7H14+H 1.281E+13 -0.086 3.626E+04 REV/ 1.000E+13 0.000 2.500E+03 / !R3009 OC7H15+O2<=>OC7H14+HO2 3.000E-29 0.000 3.000E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R3010 PC7H15+O2<=>OC7H14+HO2 3.000E-29 0.000 3.000E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R3011 PC7H15+O2<=>PC7H14+HO2 4.500E-29 0.000 5.020E+03 REV/ 2.000E-29 0.000 1.750E+04 / !R3013 NC7H15<=>PC7H15 2.000E+11 0.000 1.810E+04 REV/ 9.000E+11 0.000 2.110E+04 / !R3017 PC7H15+HO2<=>PC7H15O+OH 7.000E+12 0.000 -1.000E+03 REV/ 3.083E+17 -1.147 2.786E+04 / !R3021 PC7H15+CH3O2<=>PC7H15O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.928E+16 -0.849 3.210E+04 / !R3023 PC7H14<=>TC4H9+C3H5-A 1.861E+27 -3.388 7.428E+04 REV/ 7.220E+14 -0.750 -1.310E+02 / !R3024 OC7H14<=>CC6H11-B+CH3 3.087E+24 -2.516 7.410E+04 REV/ 1.020E+14 -0.320 -1.310E+02 / !R3025 OC7H14+OH<=>C2H5CHO+TC4H9 2.000E+10 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3026 OC7H14+OH<=>NEOC5H11+CH3CHO 2.000E+10 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3027 PC7H14+OH<=>NEOC5H11+CH3CHO 2.000E+10 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3029 OC7H14+O<=>TC4H9+HCO+C2H4 2.000E+10 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3030 PC7H14+O<=>CH2O+NEOC6H12 2.000E+10 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3031 OC7H14+H<=>OC7H13-N+H2 1.995E+06 2.540 6.756E+03 REV/ 3.105E+04 2.540 1.112E+04 / !R3032 OC7H14+H<=>PC7H13-O+H2 1.730E+04 2.500 2.492E+03 REV/ 4.865E+05 2.060 2.085E+04 / !R3033 OC7H14+OH<=>OC7H13-N+H2O 1.581E+10 0.970 1.586E+03 REV/ 1.065E+09 0.970 2.110E+04 / !R3034 OC7H14+OH<=>PC7H13-O+H2O 3.120E+06 2.000 -2.980E+02 REV/ 3.799E+08 1.560 3.322E+04 / !R3035 PC7H14+H<=>PC7H13-N+H2 1.995E+06 2.540 6.756E+03 REV/ 3.087E+04 2.540 1.112E+04 / !R3036 PC7H14+H<=>PC7H13-O+H2 3.376E+05 2.360 2.070E+02 REV/ 4.354E+06 2.100 2.042E+04 / !R3037 PC7H14+OH<=>PC7H13-N+H2O 1.581E+10 0.970 1.586E+03 REV/ 1.059E+09 0.960 2.110E+04 / !R3038 PC7H14+OH<=>PC7H13-O+H2O 2.764E+04 2.640 -1.919E+03 REV/ 1.543E+06 2.380 3.345E+04 / !R3039 OC7H13-N<=>IC4H8+C3H5-S 3.475E+21 -2.390 4.467E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R3040 PC7H13-N<=>IC4H8+C3H5-A 4.890E+19 -2.090 1.939E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R3041 PC7H13-O<=>PC7H13-N 4.172E+11 0.000 2.640E+04 REV/ 5.006E+08 0.250 1.055E+04 / !R3049 PC7H15O2<=>PC7H15+O2 2.759E+22 -2.386 3.811E+04 REV/ 1.250E+12 0.000 0.000E+00 / !R3061 PC7H15+PC7H15O2<=>PC7H15O+PC7H15O 7.000E+12 0.000 -1.000E+03 REV/ 4.500E+15 -0.701 3.095E+04 / !R3069 PC7H15O2+HO2<=>PC7H15O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 4.527E+13 -0.816 3.364E+04 / !R3073 PC7H15O2+H2O2<=>PC7H15O2H+HO2 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3077 PC7H15O2+CH3O2<=>PC7H15O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3086 PC7H15O2+PC7H15O2<=>O2+PC7H15O+PC7H15O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3091 PC7H15O2H<=>PC7H15O+OH 1.000E+16 0.000 3.900E+04 REV/ 7.714E+06 2.055 -7.162E+03 / !R3096 PC7H15O<=>CH3CHO+NEOC5H11 7.500E+17 -1.279 1.887E+04 REV/ 5.000E+10 0.000 1.290E+04 / !R3105 PC7H15O2<=>PC7H14OOH-N 1.406E+10 0.000 2.235E+04 REV/ 1.309E+10 -0.526 6.910E+03 / !R3106 PC7H15O2<=>PC7H14OOH-O 2.000E+11 0.000 2.685E+04 REV/ 1.455E+10 -0.056 1.380E+04 / !R3112 PC7H15O2<=>OC7H14+HO2 5.044E+38 -8.110 4.049E+04 REV/ 3.736E+28 -5.710 1.749E+04 / !R3113 PC7H15O2<=>PC7H14+HO2 5.075E+42 -9.410 4.149E+04 REV/ 8.197E+32 -7.193 1.664E+04 / !R3122 PC7H14OOH-N<=>N-PC7H14O+OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3129 PC7H14OOH-O<=>OC7H14+HO2 1.231E+20 -2.456 2.335E+04 REV/ 1.253E+11 0.000 1.340E+04 / !R3144 PC7H14OOH-NO2<=>PC7H14OOH-N+O2 5.582E+19 -1.578 3.565E+04 REV/ 1.240E+12 0.000 0.000E+00 / !R3145 PC7H14OOH-OO2<=>PC7H14OOH-O+O2 2.100E+22 -2.302 3.802E+04 REV/ 1.750E+12 0.000 0.000E+00 / !R3157 PC7H14OOH-NO2<=>NEOC7KETPN+OH 1.563E+09 0.000 1.605E+04 REV/ 8.385E+00 1.903 4.223E+04 / !R3158 PC7H14OOH-OO2<=>NEOC7KETPO+OH 1.000E+11 0.000 2.385E+04 REV/ 1.803E+03 1.714 4.917E+04 / !R3170 NEOC7KETPN<=>CH2O+TC3H6CH2COCH3+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3171 NEOC7KETPO<=>TC4H9CHO+CH3CO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3178 N-PC7H14O+OH<=>C3H6+TC3H6CHO+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3185 N-PC7H14O+OH<=>IC4H8+CH3COCH2+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3192 N-PC7H14O+HO2<=>C3H6+TC3H6CHO+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3199 N-PC7H14O+HO2<=>IC4H8+CH3COCH2+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3210 IC8H18<=>AC8H17+H 5.748E+17 -0.360 1.012E+05 REV/ 1.000E+14 0.000 0.000E+00 / !R3211 IC8H18<=>BC8H17+H 3.299E+18 -0.721 9.873E+04 REV/ 1.000E+14 0.000 0.000E+00 / !R3212 IC8H18<=>CC8H17+H 1.146E+19 -0.941 9.543E+04 REV/ 1.000E+14 0.000 0.000E+00 / !R3213 IC8H18<=>DC8H17+H 1.919E+17 -0.360 1.004E+05 REV/ 1.000E+14 0.000 0.000E+00 / !R3214 IC8H18<=>YC7H15+CH3 1.635E+27 -2.794 8.393E+04 REV/ 1.630E+13 0.000 -5.960E+02 / !R3215 IC8H18<=>PC7H15+CH3 1.376E+26 -2.591 8.586E+04 REV/ 1.930E+14 -0.320 0.000E+00 / !R3216 IC8H18<=>TC4H9+IC4H9 7.828E+29 -3.925 8.415E+04 REV/ 3.590E+14 -0.750 0.000E+00 / !R3217 IC8H18<=>NEOC5H11+IC3H7 2.455E+23 -2.013 8.340E+04 REV/ 3.590E+14 -0.750 0.000E+00 / !R3218 IC8H18+H<=>AC8H17+H2 7.341E+05 2.768 8.147E+03 REV/ 5.100E+01 3.404 1.048E+04 / !R3219 IC8H18+H<=>BC8H17+H2 5.736E+05 2.491 4.124E+03 REV/ 6.942E+00 3.488 8.954E+03 / !R3220 IC8H18+H<=>CC8H17+H2 6.020E+05 2.400 2.583E+03 REV/ 2.097E+00 3.617 1.071E+04 / !R3221 IC8H18+H<=>DC8H17+H2 1.880E+05 2.750 6.280E+03 REV/ 3.911E+01 3.386 9.417E+03 / !R3222 IC8H18+O<=>AC8H17+OH 8.550E+03 3.050 3.123E+03 REV/ 3.118E-01 3.666 4.048E+03 / !R3223 IC8H18+O<=>BC8H17+OH 4.770E+04 2.710 2.106E+03 REV/ 3.030E-01 3.687 5.524E+03 / !R3224 IC8H18+O<=>CC8H17+OH 3.830E+05 2.410 1.140E+03 REV/ 7.003E-01 3.607 7.858E+03 / !R3225 IC8H18+O<=>DC8H17+OH 2.853E+05 2.500 3.645E+03 REV/ 3.116E+01 3.116 5.370E+03 / !R3226 IC8H18+OH<=>AC8H17+H2O 2.630E+07 1.800 1.431E+03 !R3227 IC8H18+OH<=>BC8H17+H2O 9.000E+05 2.000 -1.133E+03 REV/ 1.159E+02 2.891 1.859E+04 / !R3228 IC8H18+OH<=>CC8H17+H2O 1.700E+06 1.900 -1.450E+03 REV/ 6.301E+01 3.011 2.157E+04 / !R3229 IC8H18+OH<=>DC8H17+H2O 1.780E+07 1.800 1.431E+03 REV/ 3.940E+04 2.330 1.946E+04 / !R3230 IC8H18+CH3<=>AC8H17+CH4 4.257E-14 8.060 4.154E+03 REV/ 2.699E-15 8.250 8.031E+03 / !R3231 IC8H18+CH3<=>BC8H17+CH4 2.705E+04 2.260 7.287E+03 REV/ 2.988E+02 2.811 1.366E+04 / !R3232 IC8H18+CH3<=>CC8H17+CH4 6.010E-10 6.360 8.930E+02 REV/ 1.911E-12 7.131 1.056E+04 / !R3233 IC8H18+CH3<=>DC8H17+CH4 1.470E-01 3.870 6.808E+03 REV/ 2.791E-02 4.060 1.148E+04 / !R3234 IC8H18+HO2<=>AC8H17+H2O2 61.2 3.59 17160 !R3235 IC8H18+HO2<=>BC8H17+H2O2 63.2 3.37 13720 !R3236 IC8H18+HO2<=>CC8H17+H2O2 433.2 3.01 12090 !R3237 IC8H18+HO2<=>DC8H17+H2O2 40.8 3.59 17160 !R3238 IC8H18+CH3O<=>AC8H17+CH3OH 4.740E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / !R3239 IC8H18+CH3O<=>BC8H17+CH3OH 1.095E+11 0.000 5.000E+03 REV/ 8.900E+09 0.000 7.200E+03 / !R3240 IC8H18+CH3O<=>CC8H17+CH3OH 1.900E+10 0.000 2.800E+03 REV/ 1.000E+10 0.000 5.200E+03 / !R3241 IC8H18+CH3O<=>DC8H17+CH3OH 3.200E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / !R3242 IC8H18+O2<=>AC8H17+HO2 6.300E+13 0.000 5.076E+04 REV/ 2.296E+10 0.288 -1.592E+03 / !R3243 IC8H18+O2<=>BC8H17+HO2 1.400E+13 0.000 4.821E+04 REV/ 8.889E+08 0.649 -1.649E+03 / !R3244 IC8H18+O2<=>CC8H17+HO2 7.000E+12 0.000 4.606E+04 REV/ 1.279E+08 0.869 -4.990E+02 / !R3245 IC8H18+O2<=>DC8H17+HO2 4.200E+13 0.000 5.076E+04 REV/ 4.584E+10 0.288 -7.920E+02 / !R3246 IC8H18+C2H5<=>AC8H17+C2H6 1.500E+11 0.000 1.340E+04 REV/ 3.200E+11 0.000 1.230E+04 / !R3247 IC8H18+C2H5<=>BC8H17+C2H6 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3248 IC8H18+C2H5<=>CC8H17+C2H6 1.000E+11 0.000 7.900E+03 REV/ 3.000E+11 0.000 2.100E+04 / !R3249 IC8H18+C2H5<=>DC8H17+C2H6 1.000E+11 0.000 1.340E+04 REV/ 3.200E+11 0.000 1.230E+04 / !R3250 IC8H18+C2H3<=>AC8H17+C2H4 1.500E+12 0.000 1.800E+04 REV/ 2.570E+12 0.000 2.540E+04 / !R3251 IC8H18+C2H3<=>BC8H17+C2H4 4.000E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / !R3252 IC8H18+C2H3<=>CC8H17+C2H4 2.000E+11 0.000 1.430E+04 REV/ 2.500E+12 0.000 2.300E+04 / !R3253 IC8H18+C2H3<=>DC8H17+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.570E+12 0.000 2.540E+04 / !R3254 XC7H14+CH3<=>AC8H17 1.300E+03 2.500 8.520E+03 REV/ 1.254E+13 0.30 2.832E+04 / !R3255 IC4H8+IC4H9<=>AC8H17 6.090E+02 2.48 8.520E+03 !!!!4.000E+02 2.500 8.520E+03 REV/ 2.458E+14 -0.14 2.678E+04 / !R3256 YC7H14+CH3<=>BC8H17 1.300E+03 2.500 8.520E+03 REV/ 4.702E+12 0.48 2.821E+04 / !R3257 OC7H14+CH3<=>BC8H17 1.300E+03 2.500 8.520E+03 REV/ 3.598E+10 0.86 2.941E+04 / !R3258 IC4H8+TC4H9<=>CC8H17 6.090E+02 2.48 6.130E+03 !!!!4.000E+02 2.500 6.130E+03 REV/ 6.245E+14 -0.14 2.589E+04 / !R3259 PC7H14+CH3<=>DC8H17 1.300E+03 2.500 8.520E+03 REV/ 2.836E+11 0.69 2.957E+04 / !R3260 C3H6+NEOC5H11<=>DC8H17 4.000E+02 2.500 8.520E+03 REV/ 3.734E+08 1.57 2.702E+04 / !R3261 BC8H17<=>IC8H16+H 1.843E+12 0.376 3.524E+04 REV/ 6.250E+11 0.500 2.620E+03 / !R3262 CC8H17<=>IC8H16+H 8.995E+11 0.596 3.715E+04 REV/ 1.060E+12 0.500 1.230E+03 / !R3263 CC8H17<=>JC8H16+H 4.213E+11 0.777 3.669E+04 REV/ 1.060E+12 0.500 1.230E+03 / !R3264 CC8H17+O2<=>IC8H16+HO2 3.000E-19 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R3265 CC8H17+O2<=>JC8H16+HO2 1.500E-19 0.000 4.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R3266 DC8H17<=>JC8H16+H 1.484E+13 0.196 3.309E+04 REV/ 6.250E+11 0.500 2.620E+03 / !R3267 AC8H17<=>DC8H17 1.390E+11 0.000 1.540E+04 REV/ 4.163E+11 0.000 1.620E+04 / !R3268 AC8H17<=>CC8H17 3.708E+11 0.000 2.040E+04 REV/ 1.859E+10 0.581 2.619E+04 / !R3269 DC8H17+O2<=>JC8H16+HO2 2.000E-18 0.000 5.000E+03 REV/ 2.000E-19 0.000 1.750E+04 / !R3270 IC8H16+H<=>IC8H15+H2 3.700E+13 0.000 3.900E+03 REV/ 3.424E+12 0.029 1.957E+04 / !R3271 JC8H16+H<=>IC8H15+H2 3.700E+13 0.000 3.900E+03 REV/ 1.603E+12 0.210 1.911E+04 / !R3272 IC8H16+O<=>IC8H15+OH 3.700E+13 0.000 3.900E+03 REV/ 1.797E+12 0.009 1.816E+04 / !R3273 JC8H16+O<=>IC8H15+OH 3.700E+13 0.000 3.900E+03 REV/ 8.417E+11 0.190 1.770E+04 / !R3274 IC8H16+OH<=>IC8H15+H2O 3.700E+13 0.000 3.900E+03 REV/ 3.643E+13 -0.077 3.446E+04 / !R3275 JC8H16+OH<=>IC8H15+H2O 3.700E+13 0.000 3.900E+03 REV/ 1.706E+13 0.104 3.400E+04 / !R3276 IC8H15<=>IC4H8+IC4H7-I1 8.986E+24 -2.992 5.360E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R3277 IC8H16+CH3<=>IC8H15+CH4 2.000E+12 0.000 7.300E+03 REV/ 1.689E+14 -0.417 2.451E+04 / !R3278 JC8H16+CH3<=>IC8H15+CH4 2.000E+12 0.000 7.300E+03 REV/ 7.911E+13 -0.236 2.405E+04 / !R3279 IC8H16+OH<=>CH3COCH3+NEOC5H11 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3280 JC8H16+OH<=>CH2O+PC7H15 1.000E+11 0.000 -4.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3281 JC8H16+O<=>CH2O+PC7H14 1.000E+11 0.000 -1.050E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3282 IC8H18+CH3O2<=>AC8H17+CH3O2H 2.079 3.97 18280 !R3283 IC8H18+CH3O2<=>BC8H17+CH3O2H 10.165 3.58 14810 !R3284 IC8H18+CH3O2<=>CC8H17+CH3O2H 136.6 3.12 13190 !R3285 IC8H18+CH3O2<=>DC8H17+CH3O2H 1.386 3.97 18280 !R3286 IC8H18+AC8H17O2<=>AC8H17+AC8H17O2H 1.814E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3287 IC8H18+BC8H17O2<=>AC8H17+BC8H17O2H 1.814E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3288 IC8H18+CC8H17O2<=>AC8H17+CC8H17O2H 1.814E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3289 IC8H18+DC8H17O2<=>AC8H17+DC8H17O2H 1.814E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3290 IC8H18+AC8H17O2<=>BC8H17+AC8H17O2H 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3291 IC8H18+BC8H17O2<=>BC8H17+BC8H17O2H 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3292 IC8H18+CC8H17O2<=>BC8H17+CC8H17O2H 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3293 IC8H18+DC8H17O2<=>BC8H17+DC8H17O2H 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3294 IC8H18+AC8H17O2<=>CC8H17+AC8H17O2H 2.000E+12 0.000 1.600E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3295 IC8H18+BC8H17O2<=>CC8H17+BC8H17O2H 2.000E+12 0.000 1.600E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3296 IC8H18+CC8H17O2<=>CC8H17+CC8H17O2H 2.000E+12 0.000 1.600E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3297 IC8H18+DC8H17O2<=>CC8H17+DC8H17O2H 2.000E+12 0.000 1.600E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3298 IC8H18+AC8H17O2<=>DC8H17+AC8H17O2H 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3299 IC8H18+BC8H17O2<=>DC8H17+BC8H17O2H 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3300 IC8H18+CC8H17O2<=>DC8H17+CC8H17O2H 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3301 IC8H18+DC8H17O2<=>DC8H17+DC8H17O2H 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3302 IC8H18+O2CHO<=>AC8H17+HO2CHO 2.520E+13 0.000 2.044E+04 REV/ 5.581E+02 2.300 3.062E+03 / !R3303 IC8H18+O2CHO<=>BC8H17+HO2CHO 5.600E+12 0.000 1.769E+04 REV/ 2.160E+01 2.660 2.806E+03 / !R3304 IC8H18+O2CHO<=>CC8H17+HO2CHO 2.800E+12 0.000 1.601E+04 REV/ 3.109E+00 2.880 4.633E+03 / !R3305 IC8H18+O2CHO<=>DC8H17+HO2CHO 1.680E+13 0.000 2.044E+04 REV/ 1.114E+03 2.300 3.862E+03 / !R3306 IC8H18+IC4H6OH<=>AC8H17+IC4H7OH 7.050E+02 3.300 1.984E+04 REV/ 2.768E-01 3.903 6.526E+03 / !R3307 IC8H18+IC4H6OH<=>BC8H17+IC4H7OH 1.568E+02 3.300 1.817E+04 REV/ 1.072E-02 4.264 7.350E+03 / !R3308 IC8H18+IC4H6OH<=>CC8H17+IC4H7OH 8.440E+01 3.300 1.717E+04 REV/ 1.661E-03 4.484 9.648E+03 / !R3309 IC8H18+IC4H6OH<=>DC8H17+IC4H7OH 4.700E+02 3.300 1.984E+04 REV/ 5.526E-01 3.903 7.326E+03 / !R3310 AC8H17O2<=>AC8H17+O2 3.465E+20 -1.653 3.572E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3311 BC8H17O2<=>BC8H17+O2 1.046E+23 -2.323 3.884E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3312 CC8H17O2<=>CC8H17+O2 3.620E+24 -2.560 3.601E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R3313 DC8H17O2<=>DC8H17+O2 3.465E+20 -1.653 3.492E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3314 AC8H17+AC8H17O2<=>AC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 6.479E+13 -0.155 2.936E+04 / !R3315 AC8H17+BC8H17O2<=>AC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 4.991E+13 -0.123 2.823E+04 / !R3316 AC8H17+CC8H17O2<=>AC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 4.354E+13 -0.163 3.017E+04 / !R3317 AC8H17+DC8H17O2<=>AC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 3.252E+13 -0.155 2.936E+04 / !R3318 BC8H17+AC8H17O2<=>BC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 9.035E+15 -0.794 3.135E+04 / !R3319 BC8H17+BC8H17O2<=>BC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 6.960E+15 -0.761 3.022E+04 / !R3320 BC8H17+CC8H17O2<=>BC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 6.071E+15 -0.801 3.216E+04 / !R3321 BC8H17+DC8H17O2<=>BC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 4.535E+15 -0.794 3.135E+04 / !R3322 CC8H17+AC8H17O2<=>CC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 1.458E+17 -1.070 3.046E+04 / !R3323 CC8H17+BC8H17O2<=>CC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 1.123E+17 -1.038 2.933E+04 / !R3324 CC8H17+CC8H17O2<=>CC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 9.797E+16 -1.078 3.127E+04 / !R3325 CC8H17+DC8H17O2<=>CC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 7.317E+16 -1.070 3.046E+04 / !R3326 DC8H17+AC8H17O2<=>DC8H17O+AC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 3.252E+13 -0.155 2.856E+04 / !R3327 DC8H17+BC8H17O2<=>DC8H17O+BC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 2.505E+13 -0.123 2.743E+04 / !R3328 DC8H17+CC8H17O2<=>DC8H17O+CC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 2.185E+13 -0.163 2.937E+04 / !R3329 DC8H17+DC8H17O2<=>DC8H17O+DC8H17O 7.000E+12 0.000 -1.000E+03 REV/ 1.632E+13 -0.155 2.856E+04 / !R3330 AC8H17+HO2<=>AC8H17O+OH 7.000E+12 0.000 -1.000E+03 REV/ 2.180E+15 -0.508 2.588E+04 / !R3331 BC8H17+HO2<=>BC8H17O+OH 7.000E+12 0.000 -1.000E+03 REV/ 3.040E+17 -1.146 2.787E+04 / !R3332 CC8H17+HO2<=>CC8H17O+OH 7.000E+12 0.000 -1.000E+03 REV/ 4.906E+18 -1.423 2.698E+04 / !R3333 DC8H17+HO2<=>DC8H17O+OH 7.000E+12 0.000 -1.000E+03 REV/ 1.094E+15 -0.508 2.508E+04 / !R3334 AC8H17+CH3O2<=>AC8H17O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.364E+14 -0.209 3.012E+04 / !R3335 BC8H17+CH3O2<=>BC8H17O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 1.902E+16 -0.847 3.211E+04 / !R3336 CC8H17+CH3O2<=>CC8H17O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 3.069E+17 -1.124 3.122E+04 / !R3337 DC8H17+CH3O2<=>DC8H17O+CH3O 7.000E+12 0.000 -1.000E+03 REV/ 6.844E+13 -0.209 2.932E+04 / !R3338 AC8H17O2+HO2<=>AC8H17O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 4.067E+13 -0.803 3.362E+04 / !R3339 BC8H17O2+HO2<=>BC8H17O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.746E+13 -0.791 3.361E+04 / !R3340 CC8H17O2+HO2<=>CC8H17O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.752E+13 -0.792 3.361E+04 / !R3341 DC8H17O2+HO2<=>DC8H17O2H+O2 1.750E+10 0.000 -3.275E+03 REV/ 4.068E+13 -0.803 3.362E+04 / !R3342 H2O2+AC8H17O2<=>HO2+AC8H17O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3343 H2O2+BC8H17O2<=>HO2+BC8H17O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3344 H2O2+CC8H17O2<=>HO2+CC8H17O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3345 H2O2+DC8H17O2<=>HO2+DC8H17O2H 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3346 AC8H17O2+CH3O2<=>AC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3347 BC8H17O2+CH3O2<=>BC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3348 CC8H17O2+CH3O2<=>CC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3349 DC8H17O2+CH3O2<=>DC8H17O+CH3O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3350 AC8H17O2+AC8H17O2<=>O2+AC8H17O+AC8H17O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3351 AC8H17O2+BC8H17O2<=>AC8H17O+BC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3352 AC8H17O2+CC8H17O2<=>AC8H17O+CC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3353 AC8H17O2+DC8H17O2<=>AC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3354 BC8H17O2+BC8H17O2<=>O2+BC8H17O+BC8H17O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3355 BC8H17O2+CC8H17O2<=>BC8H17O+CC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3356 BC8H17O2+DC8H17O2<=>BC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3357 CC8H17O2+CC8H17O2<=>O2+CC8H17O+CC8H17O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3358 CC8H17O2+DC8H17O2<=>CC8H17O+DC8H17O+O2 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3359 DC8H17O2+DC8H17O2<=>O2+DC8H17O+DC8H17O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3360 AC8H17O2H<=>AC8H17O+OH 1.000E+16 0.000 3.900E+04 REV/ 1.748E+07 1.948 -6.742E+03 / !R3361 BC8H17O2H<=>BC8H17O+OH 1.000E+16 0.000 3.900E+04 REV/ 1.462E+07 1.969 -7.862E+03 / !R3362 CC8H17O2H<=>CC8H17O+OH 1.000E+16 0.000 3.900E+04 REV/ 1.273E+07 1.929 -5.922E+03 / !R3363 DC8H17O2H<=>DC8H17O+OH 1.000E+16 0.000 3.900E+04 REV/ 8.771E+06 1.948 -6.742E+03 / !R3364 AC8H17O<=>YC7H15+CH2O 5.689E+24 -3.208 1.914E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3365 BC8H17O<=>TC4H9+IC3H7CHO 3.115E+26 -3.578 1.598E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3366 BC8H17O<=>IC3H7+TC4H9CHO 3.327E+23 -2.891 1.847E+04 REV/ 6.250E+10 0.000 1.290E+04 / !R3367 CC8H17O<=>NEOC5H11+CH3COCH3 1.206E+20 -1.671 1.234E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3368 DC8H17O<=>PC7H15+CH2O 6.076E+22 -2.685 2.047E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3369 AC8H17O2<=>AC8H16OOH-A 7.500E+10 0.000 2.400E+04 !R3370 AC8H17O2<=>AC8H16OOH-B 2.500E+10 0.000 2.045E+04 !R3371 AC8H17O2<=>AC8H16OOH-C 1.563E+09 0.000 1.665E+04 !R3373 BC8H17O2<=>BC8H16OOH-A 1.125E+11 0.000 2.400E+04 !R3374 BC8H17O2<=>BC8H16OOH-C 1.000E+11 0.000 2.370E+04 !R3375 BC8H17O2<=>BC8H16OOH-D 7.500E+10 0.000 2.400E+04 !R3376 CC8H17O2<=>CC8H16OOH-A 1.406E+10 0.000 2.195E+04 !R3377 CC8H17O2<=>CC8H16OOH-B 2.000E+11 0.000 2.645E+04 !R3378 CC8H17O2<=>CC8H16OOH-D 6.000E+11 0.000 2.900E+04 !R3380 DC8H17O2<=>DC8H16OOH-B 2.500E+10 0.000 2.045E+04 !R3381 DC8H17O2<=>DC8H16OOH-C 1.000E+11 0.000 2.370E+04 !R3382 DC8H17O2<=>DC8H16OOH-D 3.750E+10 0.000 2.400E+04 !R3383 BC8H17O2<=>IC8H16+HO2 8.530E+35 -7.220 4.149E+04 ! !R3384 CC8H17O2<=>IC8H16+HO2 10.044E+38 -8.110 4.249E+04 !R3385 CC8H17O2<=>JC8H16+HO2 2.015E+43 -9.410 4.349E+04 !R3386 DC8H17O2<=>JC8H16+HO2 8.530E+35 -7.220 4.149E+04 !R3387 AC8H16OOH-A<=>IC8ETERAA+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3388 AC8H16OOH-B<=>IC8ETERAB+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3389 AC8H16OOH-C<=>IC8ETERAC+OH 27.375E+09 0.000 7.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3391 BC8H16OOH-C<=>IC8ETERBC+OH 18.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3392 BC8H16OOH-A<=>IC8ETERAB+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3393 BC8H16OOH-D<=>IC8ETERBD+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3395 CC8H16OOH-B<=>IC8ETERBC+OH 18.000E+11 0.000 2.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3396 CC8H16OOH-A<=>IC8ETERAC+OH 27.375E+09 0.000 7.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3398 DC8H16OOH-D<=>IC8ETERDD+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3399 DC8H16OOH-B<=>IC8ETERBD+OH 3.000E+11 0.000 1.425E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3401 BC8H16OOH-C<=>IC8H16+HO2 1.526E+20 -2.395 2.440E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3402 CC8H16OOH-D<=>JC8H16+HO2 1.174E+22 -2.718 1.674E+04 REV/ 1.000E+11 0.000 9.600E+03 / !R3403 CC8H16OOH-B<=>IC8H16+HO2 1.132E+21 -2.504 2.296E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3404 DC8H16OOH-C<=>JC8H16+HO2 1.883E+18 -1.821 1.496E+04 REV/ 1.000E+11 0.000 9.600E+03 / !R3405 AC8H16OOH-A<=>OH+CH2O+XC7H14 9.087E+17 -1.260 2.858E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3406 AC8H16OOH-B<=>OH+CH2O+YC7H14 1.252E+17 -1.080 2.821E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3407 BC8H16OOH-A<=>OH+IC3H7CHO+IC4H8 3.118E+21 -2.430 2.633E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3408 BC8H16OOH-D<=>OH+TC4H9CHO+C3H6 1.293E+21 -2.200 3.297E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3409 DC8H16OOH-B<=>OH+CH2O+OC7H14 1.120E+15 -0.460 3.093E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3410 DC8H16OOH-D<=>OH+CH2O+PC7H14 8.013E+15 -0.650 3.089E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3412 AC8H16OOH-A<=>IC4H7OOH+TC4H9 1.513E+24 -3.080 2.684E+04 REV/ 1.250E+11 0.000 1.230E+04 / !R3413 AC8H16OOH-B<=>YC7H13OOH-X1+CH3 1.034E+16 -0.820 2.745E+04 REV/ 1.250E+11 0.000 1.090E+04 / !R3415 BC8H16OOH-A<=>XC7H13OOH-Z+CH3 2.142E+16 -0.780 2.915E+04 REV/ 1.250E+11 0.000 1.060E+04 / !R3418 DC8H16OOH-B<=>YC7H13OOH-X2+CH3 4.771E+17 -1.010 2.960E+04 REV/ 1.250E+11 0.000 1.360E+04 / !R3419 DC8H16OOH-D<=>NEOC5H11+AC3H5OOH 2.009E+22 -2.400 3.098E+04 REV/ 1.250E+11 0.000 9.200E+03 / !R3420 AC8H16OOH-C<=>IC4H8+IC4H8O2H-T 5.567E+21 -2.400 2.712E+04 REV/ 1.250E+11 0.000 7.800E+03 / !R3421 CC8H16OOH-A<=>IC4H8+TC4H8O2H-I 1.734E+23 -2.790 2.980E+04 REV/ 1.250E+11 0.000 1.060E+04 / !R3424 AC8H16OOH-AO2<=>AC8H16OOH-A+O2 3.251E+20 -1.643 3.492E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3425 AC8H16OOH-BO2<=>AC8H16OOH-B+O2 1.361E+23 -2.357 3.728E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3426 AC8H16OOH-CO2<=>AC8H16OOH-C+O2 3.258E+24 -2.544 3.670E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R3428 BC8H16OOH-CO2<=>BC8H16OOH-C+O2 1.534E+24 -2.437 3.662E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R3429 BC8H16OOH-AO2<=>BC8H16OOH-A+O2 2.979E+20 -1.632 3.490E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3430 BC8H16OOH-DO2<=>BC8H16OOH-D+O2 2.980E+20 -1.632 3.490E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3432 CC8H16OOH-BO2<=>CC8H16OOH-B+O2 1.106E+23 -2.328 3.806E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3433 CC8H16OOH-AO2<=>CC8H16OOH-A+O2 3.355E+20 -1.647 3.572E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3434 DC8H16OOH-CO2<=>DC8H16OOH-C+O2 3.274E+24 -2.544 3.750E+04 REV/ 1.410E+13 0.000 0.000E+00 / !R3435 DC8H16OOH-DO2<=>DC8H16OOH-D+O2 1.632E+20 -1.643 3.572E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3436 DC8H16OOH-BO2<=>DC8H16OOH-B+O2 1.362E+23 -2.357 3.808E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3438 AC8H16OOH-AO2<=>IC8KETAA+OH 2.500E+10 0.000 2.100E+04 ! !R3439 AC8H16OOH-BO2<=>IC8KETAB+OH 2.500E+10 0.000 2.100E+04 !R3440 AC8H16OOH-CO2<=>IC8KETAC+OH 3.125E+09 0.000 1.895E+04 !R3442 BC8H16OOH-CO2<=>IC8KETBC+OH 1.000E+11 0.000 2.345E+04 !R3443 BC8H16OOH-AO2<=>IC8KETBA+OH 1.250E+10 0.000 1.745E+04 !R3444 BC8H16OOH-DO2<=>IC8KETBD+OH 1.250E+10 0.000 1.745E+04 !R3446 DC8H16OOH-DO2<=>IC8KETDD+OH 2.500E+10 0.000 2.100E+04 !R3447 DC8H16OOH-BO2<=>IC8KETDB+OH 2.500E+10 0.000 2.100E+04 !R3449 IC8ETERAA+OH<=>XC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3450 IC8ETERAB+OH<=>YC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3451 IC8ETERAC+OH<=>IC4H8+TC3H6CHO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3453 IC8ETERBC+OH<=>IC3H5CHO+TC4H9+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3454 IC8ETERBD+OH<=>OC7H14+HCO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3456 IC8ETERDD+OH<=>C2H3CHO+NEOC5H11+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3457 IC8ETERAA+OH<=>IC3H5CHO+IC4H9+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3458 IC8ETERAB+OH<=>IC4H8+IC3H7CO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3459 IC8ETERAC+OH<=>CH2O+YC7H13-Y2+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3461 IC8ETERBC+OH<=>IC3H6CO+TC4H9+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3462 IC8ETERBD+OH<=>C3H6+TC4H9CO+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3464 IC8ETERDD+OH<=>CH2O+PC7H13-O+H2O 1.250E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3465 IC8ETERAA+HO2<=>XC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3466 IC8ETERAB+HO2<=>YC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3467 IC8ETERAC+HO2<=>IC4H8+TC3H6CHO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3469 IC8ETERBC+HO2<=>IC3H5CHO+TC4H9+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3470 IC8ETERBD+HO2<=>OC7H14+HCO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3472 IC8ETERDD+HO2<=>C2H3CHO+NEOC5H11+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3473 IC8ETERAA+HO2<=>IC3H5CHO+IC4H9+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3474 IC8ETERAB+HO2<=>IC4H8+IC3H7CO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3475 IC8ETERAC+HO2<=>CH2O+YC7H13-Y2+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3477 IC8ETERBC+HO2<=>IC3H6CO+TC4H9+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3478 IC8ETERBD+HO2<=>C3H6+TC4H9CO+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3480 IC8ETERDD+HO2<=>CH2O+PC7H13-O+H2O2 2.500E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3481 IC8KETAA<=>CH2O+DC6H12CHO-D+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3482 IC8KETAB<=>IC3H7CHO+TC3H6CHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3483 IC8KETAC<=>CH3COCH3+TC4H8CHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3485 IC8KETBC<=>CH3COCH3+TC4H9CO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3486 IC8KETBA<=>CH2O+IC3H7COC3H6-T+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3487 IC8KETBD<=>CH2O+TC4H9COC2H4S+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3489 IC8KETDD<=>CH2O+HC6H12CHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3490 IC8KETDB<=>TC4H9CHO+CH3CHCHO+OH 1.000E+16 0.000 3.900E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3492 CC8H16OH-B<=>IC8H16+OH 5.836E+16 -1.010 3.540E+04 REV/ 1.000E+12 0.000 -1.042E+03 / !R3493 BC8H16OH-C<=>IC8H16+OH 6.328E+15 -0.800 3.488E+04 REV/ 1.000E+12 0.000 -1.042E+03 / !R3494 CC8H16OH-D<=>JC8H16+OH 8.350E+17 -1.260 3.255E+04 REV/ 1.000E+12 0.000 -1.042E+03 / !R3495 DC8H16OH-C<=>JC8H16+OH 1.028E+14 -0.360 2.995E+04 REV/ 1.000E+12 0.000 -1.042E+03 / !R3496 CC8H16OH-D<=>NEOC5H11+IC3H5OH 1.617E+22 -2.490 3.102E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R3497 BC8H16OH-C<=>TC4H9+IC4H7OH 3.441E+22 -2.640 3.269E+04 REV/ 1.000E+11 0.000 9.200E+03 / !R3498 CC8H16OH-BO2<=>CC8H16OH-B+O2 7.675E+20 -2.000 3.551E+04 REV/ 1.500E+12 0.000 0.000E+00 / !R3499 BC8H16OH-CO2<=>BC8H16OH-C+O2 1.033E+22 -2.180 3.477E+04 REV/ 2.000E+12 0.000 0.000E+00 / !R3500 CC8H16OH-DO2<=>CC8H16OH-D+O2 1.963E+18 -1.450 3.431E+04 REV/ 1.000E+12 0.000 0.000E+00 / !R3501 DC8H16OH-CO2<=>DC8H16OH-C+O2 1.638E+22 -2.160 3.473E+04 REV/ 2.000E+12 0.000 0.000E+00 / !R3502 CC8H16OH-BO2<=>CC8H16O-BO2H 1.200E+12 0.000 1.890E+04 REV/ 1.419E+15 -0.930 3.590E+03 / !R3503 BC8H16OH-CO2<=>BC8H16O-CO2H 1.200E+12 0.000 1.890E+04 REV/ 1.382E+15 -0.920 3.580E+03 / !R3504 CC8H16OH-DO2<=>CC8H16O-DO2H 1.200E+12 0.000 1.890E+04 REV/ 1.418E+15 -0.930 3.580E+03 / !R3505 DC8H16OH-CO2<=>DC8H16O-CO2H 1.200E+12 0.000 1.890E+04 REV/ 1.420E+15 -0.930 3.590E+03 / !R3506 CC8H16O-BO2H<=>TC4H9CHO+CH3COCH3+OH 3.861E+23 -3.090 1.300E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3507 BC8H16O-CO2H<=>TC4H9CHO+CH3COCH3+OH 1.611E+23 -2.870 1.509E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3508 CC8H16O-DO2H<=>NEOC5H11COCH3+CH2O+OH 8.325E+18 -1.470 1.791E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3509 DC8H16O-CO2H<=>NEOC5H11COCH3+CH2O+OH 5.850E+20 -2.070 1.688E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3555 DC6H12CHO-D<=>IC3H5CHO+IC3H7 7.829E+15 -0.600 3.151E+04 REV/ 1.000E+11 0.000 8.300E+03 / !R3558 IC3H7COC3H7-I+OH<=>IC3H7COC3H6-T+H2O 3.368E+12 0.000 -7.810E+02 REV/ 1.156E+13 -0.080 2.983E+04 / !R3560 IC3H7COC3H7-I+HO2<=>IC3H7COC3H6-T+H2O2 1.600E+11 0.000 1.192E+04 REV/ 3.260E+12 -0.410 1.107E+04 / !R3562 IC3H7COC3H7-I+CH3O2<=>IC3H7COC3H6-T+CH3O2H 7.220E+03 2.550 8.032E+03 REV/ 6.045E+05 1.970 6.464E+03 / !R3564 IC3H7COC3H6-T<=>IC3H6CO+IC3H7 1.217E+17 -0.630 4.205E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3577 TC4H9COC2H4S<=>CH3CHCO+TC4H9 4.600E+20 -1.890 3.825E+04 REV/ 1.000E+11 0.000 1.060E+04 / !R3606 HC6H12CHO<=>C2H3CHO+TC4H9 6.884E+19 -1.760 2.769E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R3621 YC7H13OOH-X1<=>YC7H13O-X1+OH 4.178E+20 -1.680 4.781E+04 REV/ 2.000E+13 0.000 0.000E+00 / !R3622 XC7H13OOH-Z<=>XC7H13O-Z+OH 3.762E+21 -1.880 4.643E+04 REV/ 2.000E+13 0.000 0.000E+00 / !R3624 YC7H13OOH-X2<=>YC7H13O-X2+OH 1.879E+20 -1.520 4.703E+04 REV/ 2.000E+13 0.000 0.000E+00 / !R3629 YC7H13O-X1<=>CH2O+CC6H11-D 2.665E+21 -2.378 3.487E+04 REV/ 1.000E+11 0.000 1.190E+04 / !R3631 YC7H13O-X2<=>CH2O+CC6H11-B 5.285E+25 -2.062 3.517E+04 !!BILL SEP 2009 REV/ 1.000E+11 0.000 1.190E+04 / !R3634 CC6H11-D<=>C3H4-P+IC3H7 4.791E+12 0.280 2.896E+04 REV/ 1.000E+11 0.000 7.800E+03 / !R3636 IC4H6OH+H2O<=>IC4H7OH+OH 5.875E+06 1.927 3.024E+04 REV/ 3.120E+06 2.000 -2.980E+02 / !R3637 IC4H6OH+CH4<=>IC4H7OH+CH3 3.570E+02 3.087 2.287E+04 REV/ 2.210E+00 3.500 5.675E+03 / !R3638 IC4H6OH+C3H6<=>IC4H7OH+C3H5-A 2.508E+02 3.168 1.864E+04 REV/ 5.750E+02 3.150 1.866E+04 / !R3639 IC4H6OH+CH3CHO<=>IC4H7OH+CH3CO 1.357E+09 1.400 1.794E+04 REV/ 5.300E+06 2.000 1.624E+04 / !R3640 C3H5-A+CH2O<=>C3H6+HCO 6.300E+08 1.900 1.819E+04 REV/ 9.165E+06 2.171 1.770E+04 / !R3641 IC3H6CHCOCH3+OH<=>AC3H5CHCOCH3+H2O 1.530E+08 1.530 8.775E+03 REV/ 1.339E+10 1.010 4.143E+04 / !R3642 IC3H6CHCOCH3+OH<=>IC3H6CHCOCH2+H2O 5.100E+11 0.000 1.192E+03 REV/ 6.120E+07 -0.460 2.807E+04 / !R3643 IC3H6CHCOCH3+OH<=>IC3H7CHO+CH3CO 1.000E+11 0.000 0.000E+00 REV/ 3.844E+06 1.020 1.555E+04 / !R3644 IC3H6CHCOCH3+HO2<=>AC3H5CHCOCH3+H2O2 2.740E+04 2.550 1.550E+04 REV/ 1.423E+07 1.710 1.669E+04 / !R3645 IC3H6CHCOCH3+HO2<=>IC3H6CHCOCH2+H2O2 2.380E+04 2.550 1.469E+04 REV/ 1.695E+01 1.760 1.011E+04 / !R3646 IC3H6CHCOCH3+CH3O2<=>AC3H5CHCOCH3+CH3O2H 5.000E+10 0.000 1.192E+04 REV/ 1.067E+14 -1.020 1.239E+04 / !R3647 IC3H6CHCOCH3+CH3O2<=>IC3H6CHCOCH2+CH3O2H 3.010E+12 0.000 1.758E+04 REV/ 8.811E+09 -0.960 1.227E+04 / !R3648 AC3H5CHCOCH3+HO2<=>IC3H5CHO+CH3CO+OH 1.000E+12 0.000 0.000E+00 REV/ 1.000E+00 0.000 0.000E+00 / !R3649 IC3H6CHCOCH2<=>IC4H7+CH2CO 1.401E+14 -1.640 5.075E+04 REV/ 8.000E+10 0.000 1.190E+04 / !R3650 NC5H12<=>C5H11-1+H 1.375E+17 -0.360 1.012E+05 REV/ 3.610E+13 0.000 0.000E+00 / !R3651 NC5H12<=>C5H11-2+H 3.325E+18 -0.763 9.880E+04 REV/ 3.610E+13 0.000 0.000E+00 / !R3652 NC5H12<=>C5H11-3+H 1.602E+18 -0.758 9.879E+04 REV/ 3.610E+13 0.000 0.000E+00 / !R3653 NC5H12<=>CH3+PC4H9 6.101E+22 -1.862 8.943E+04 REV/ 4.000E+12 0.000 -5.960E+02 / !R3654 NC5H12<=>NC3H7+C2H5 3.082E+24 -2.269 8.844E+04 REV/ 4.000E+12 0.000 -5.960E+02 / !R3655 NC5H12+H<=>C5H11-1+H2 1.880E+05 2.750 6.280E+03 REV/ 1.972E+01 3.386 8.610E+03 / !R3656 NC5H12+H<=>C5H11-2+H2 2.600E+06 2.400 4.471E+03 REV/ 1.128E+01 3.439 9.236E+03 / !R3657 NC5H12+H<=>C5H11-3+H2 1.300E+06 2.400 4.471E+03 REV/ 1.171E+01 3.434 9.244E+03 / !R3658 NC5H12+OH<=>C5H11-1+H2O 1.054E+10 0.970 1.590E+03 REV/ 1.172E+07 1.500 1.881E+04 / !R3659 NC5H12+OH<=>C5H11-2+H2O 9.340E+07 1.610 -3.500E+01 REV/ 4.297E+03 2.543 1.962E+04 / !R3660 NC5H12+OH<=>C5H11-3+H2O 4.670E+07 1.610 -3.500E+01 REV/ 4.459E+03 2.538 1.963E+04 / !R3661 NC5H12+O<=>C5H11-1+OH 2.092E+06 2.424 4.766E+03 REV/ 1.139E+02 3.041 5.684E+03 / !R3662 NC5H12+O<=>C5H11-2+OH 1.189E+06 2.439 2.846E+03 REV/ 2.678E+00 3.459 6.199E+03 / !R3663 NC5H12+O<=>C5H11-3+OH 5.946E+05 2.439 2.846E+03 REV/ 2.779E+00 3.454 6.207E+03 / !R3664 NC5H12+CH3<=>C5H11-1+CH4 9.040E-01 3.650 7.154E+03 REV/ 8.653E-02 3.840 1.102E+04 / !R3665 NC5H12+CH3<=>C5H11-2+CH4 1.680E+05 2.133 7.574E+03 REV/ 6.650E+02 2.726 1.388E+04 / !R3666 NC5H12+CH3<=>C5H11-3+CH4 8.400E+04 2.133 7.574E+03 REV/ 6.901E+02 2.721 1.389E+04 / !R3667 NC5H12+HO2<=>C5H11-1+H2O2 4.080E+01 3.590 1.716E+04 REV/ 2.477E+00 3.531 3.490E+03 / !R3668 NC5H12+HO2<=>C5H11-2+H2O2 1.264E+02 3.370 1.372E+04 REV/ 3.173E-01 3.714 2.483E+03 / !R3669 NC5H12+HO2<=>C5H11-3+H2O2 6.320E+01 3.370 1.372E+04 REV/ 3.293E-01 3.709 2.491E+03 / !R3670 NC5H12+CH3O2<=>C5H11-1+CH3O2H 4.080E+01 3.590 1.716E+04 REV/ 4.818E+01 3.086 1.895E+03 / !R3671 NC5H12+CH3O2<=>C5H11-2+CH3O2H 1.264E+02 3.370 1.372E+04 REV/ 6.173E+00 3.269 8.880E+02 / !R3672 NC5H12+CH3O2<=>C5H11-3+CH3O2H 6.320E+01 3.370 1.372E+04 REV/ 6.406E+00 3.264 8.960E+02 / !R3673 NC5H12+C2H5<=>C5H11-1+C2H6 1.000E+11 0.000 1.340E+04 REV/ 3.200E+11 0.000 1.230E+04 / !R3674 NC5H12+C2H5<=>C5H11-2+C2H6 1.000E+11 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3675 NC5H12+C2H5<=>C5H11-3+C2H6 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3676 NC5H12+C2H3<=>C5H11-1+C2H4 1.000E+12 0.000 1.800E+04 REV/ 2.600E+12 0.000 2.540E+04 / !R3677 NC5H12+C2H3<=>C5H11-2+C2H4 8.000E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / !R3678 NC5H12+C2H3<=>C5H11-3+C2H4 4.000E+11 0.000 1.680E+04 REV/ 2.000E+12 0.000 2.420E+04 / !R3679 NC5H12+C5H11-1<=>C5H11-2+NC5H12 1.000E+11 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3680 NC5H12+C5H11-1<=>C5H11-3+NC5H12 5.000E+10 0.000 1.040E+04 REV/ 1.000E+11 0.000 1.290E+04 / !R3681 NC5H12+C5H11-2<=>C5H11-3+NC5H12 5.000E+10 0.000 1.230E+04 REV/ 1.000E+11 0.000 1.230E+04 / !R3682 NC5H12+O2CHO<=>C5H11-1+HO2CHO 1.680E+13 0.000 2.044E+04 REV/ 1.368E+00 3.110 2.295E+03 / !R3683 NC5H12+O2CHO<=>C5H11-2+HO2CHO 1.120E+13 0.000 1.769E+04 REV/ 4.306E+03 2.130 4.147E+03 / !R3684 NC5H12+O2CHO<=>C5H11-3+HO2CHO 5.600E+12 0.000 1.769E+04 REV/ 4.318E+03 2.130 4.149E+03 / !R3685 NC5H12+CH3O<=>C5H11-1+CH3OH 3.000E+11 0.000 7.000E+03 REV/ 1.200E+10 0.000 9.200E+03 / !R3686 NC5H12+CH3O<=>C5H11-2+CH3OH 2.200E+11 0.000 5.000E+03 REV/ 9.000E+09 0.000 7.200E+03 / !R3687 NC5H12+CH3O<=>C5H11-3+CH3OH 1.100E+11 0.000 5.000E+03 REV/ 9.000E+09 0.000 7.200E+03 / !R3688 NC5H12+O2<=>C5H11-1+HO2 4.200E+13 0.000 5.280E+04 REV/ 2.311E+10 0.288 4.460E+02 / !R3689 NC5H12+O2<=>C5H11-2+HO2 2.800E+13 0.000 5.016E+04 REV/ 6.370E+08 0.691 2.310E+02 / !R3690 NC5H12+O2<=>C5H11-3+HO2 1.400E+13 0.000 5.016E+04 REV/ 6.611E+08 0.686 2.390E+02 / !R3691 C5H11-1<=>C2H4+NC3H7 3.205E+12 0.451 2.943E+04 REV/ 8.800E+03 2.480 6.130E+03 / !R3692 C5H11-1<=>H+C5H10-1 3.354E+11 0.608 3.564E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R3693 C5H11-1<=>C5H11-2 3.875E+09 0.353 1.976E+04 REV/ 1.602E+08 0.756 2.220E+04 / !R3694 C5H11-2<=>C3H6+C2H5 1.223E+12 0.635 2.936E+04 REV/ 8.800E+03 2.480 6.130E+03 / !R3695 C5H11-2<=>C5H10-1+H 2.353E+10 1.011 3.668E+04 REV/ 4.240E+11 0.510 1.230E+03 / !R3696 C5H11-2<=>C5H10-2+H 3.988E+11 0.410 3.522E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R3697 C5H11-3<=>C4H8-1+CH3 6.343E+10 1.119 3.046E+04 REV/ 1.760E+04 2.480 6.130E+03 / !R3698 C5H11-3<=>C5H10-2+H 8.277E+11 0.405 3.523E+04 REV/ 2.500E+11 0.510 2.620E+03 / !R3699 C5H10-1<=>C2H5+C3H5-A 1.000E+16 0.00 7.100E+04 !R3700 C5H10-2<=>CH3+C4H71-3 1.000E+16 0.00 7.300E+04 !R3701 C5H91-3+H<=>C5H10-1 1.000E+14 0.00 0.000E+00 !R3702 C5H91-3+H<=>C5H10-2 1.000E+14 0.00 0.000E+00 !R3703 C5H92-4+H<=>C5H10-2 1.000E+14 0.00 0.000E+00 !R3704 C5H10-1+H<=>C5H91-3+H2 3.376E+05 2.360 2.070E+02 !R3705 C5H10-1+H<=>C5H91-4+H2 1.300E+06 2.400 4.471E+03 !R3706 C5H10-1+H<=>C5H91-5+H2 6.650E+05 2.540 6.756E+03 !R3707 C5H10-1+O<=>C5H91-3+OH 6.600E+05 2.430 1.210E+03 !R3708 C5H10-1+O<=>C5H91-4+OH 5.510E+05 2.450 2.830E+03 !R3709 C5H10-1+O<=>C5H91-5+OH 9.800E+05 2.430 4.750E+03 !R3710 C5H10-1+OH<=>C5H91-3+H2O 2.764E+04 2.640 -1.919E+03 !R3711 C5H10-1+OH<=>C5H91-4+H2O 4.670E+07 1.610 -3.500E+01 !R3712 C5H10-1+OH<=>C5H91-5+H2O 5.270E+09 0.970 1.586E+03 !R3713 C5H10-1+CH3<=>C5H91-3+CH4 3.690E+00 3.310 4.002E+03 !R3714 C5H10-1+CH3<=>C5H91-4+CH4 1.510E+00 3.460 5.481E+03 !R3715 C5H10-1+CH3<=>C5H91-5+CH4 4.521E-01 3.650 7.154E+03 !R3716 C5H10-1+O2<=>C5H91-3+HO2 2.200E+12 0.000 3.722E+04 !R3717 C5H10-1+O2<=>C5H91-4+HO2 2.000E+13 0.000 4.964E+04 !R3718 C5H10-1+O2<=>C5H91-5+HO2 3.000E+13 0.000 5.229E+04 !R3719 C5H10-1+HO2<=>C5H91-3+H2O2 4.820E+03 2.550 1.053E+04 !R3720 C5H10-1+HO2<=>C5H91-4+H2O2 9.640E+03 2.600 1.391E+04 !R3721 C5H10-1+HO2<=>C5H91-5+H2O2 2.380E+04 2.550 1.649E+04 !R3722 C5H10-1+CH3O2<=>C5H91-3+CH3O2H 4.820E+03 2.550 1.053E+04 !R3723 C5H10-1+CH3O2<=>C5H91-4+CH3O2H 9.640E+03 2.600 1.391E+04 !R3724 C5H10-1+CH3O2<=>C5H91-5+CH3O2H 2.380E+04 2.550 1.649E+04 !R3725 C5H10-1+CH3O<=>C5H91-3+CH3OH 4.000E+01 2.900 8.609E+03 !R3726 C5H10-1+CH3O<=>C5H91-4+CH3OH 1.450E+11 0.000 4.571E+03 !R3727 C5H10-1+CH3O<=>C5H91-5+CH3OH 2.170E+11 0.000 6.458E+03 !R3728 C5H10-2+H<=>C5H91-3+H2 1.730E+05 2.500 2.492E+03 !R3729 C5H10-2+H<=>C5H92-4+H2 3.376E+05 2.360 2.070E+02 !R3730 C5H10-2+H<=>C5H92-5+H2 6.651E+05 2.540 6.756E+03 !R3731 C5H10-2+O<=>C5H91-3+OH 4.410E+05 2.420 3.150E+03 !R3732 C5H10-2+O<=>C5H92-4+OH 9.900E+05 2.430 1.210E+03 !R3733 C5H10-2+O<=>C5H92-5+OH 9.800E+05 2.430 4.750E+03 !R3734 C5H10-2+OH<=>C5H91-3+H2O 3.120E+06 2.000 -12.980E+02 !R3735 C5H10-2+OH<=>C5H92-4+H2O 2.764E+04 2.640 -1.919E+03 !R3736 C5H10-2+OH<=>C5H92-5+H2O 5.270E+09 0.970 1.586E+03 !R3737 C5H10-2+CH3<=>C5H91-3+CH4 2.210E+00 3.500 5.675E+03 !R3738 C5H10-2+CH3<=>C5H92-4+CH4 3.690E+00 3.310 4.002E+03 !R3739 C5H10-2+CH3<=>C5H92-5+CH4 4.521E-01 3.650 7.154E+03 !R3740 C5H10-2+O2<=>C5H91-3+HO2 3.300E+12 0.000 3.990E+04 !R3741 C5H10-2+O2<=>C5H92-4+HO2 2.200E+12 0.000 3.722E+04 !R3742 C5H10-2+O2<=>C5H92-5+HO2 3.000E+13 0.000 5.229E+04 !R3743 C5H10-2+HO2<=>C5H91-3+H2O2 2.700E+04 2.500 1.234E+04 !R3744 C5H10-2+HO2<=>C5H92-4+H2O2 4.820E+03 2.550 1.053E+04 !R3745 C5H10-2+HO2<=>C5H92-5+H2O2 2.380E+04 2.550 1.649E+04 !R3746 C5H10-2+CH3O2<=>C5H91-3+CH3O2H 9.639E+03 2.600 1.391E+04 !R3747 C5H10-2+CH3O2<=>C5H92-4+CH3O2H 4.820E+03 2.550 1.053E+04 !R3748 C5H10-2+CH3O2<=>C5H92-5+CH3O2H 2.380E+04 2.550 1.649E+04 !R3749 C5H10-2+CH3O<=>C5H91-3+CH3OH 9.000E+01 2.950 1.199E+04 !R3750 C5H10-2+CH3O<=>C5H92-4+CH3OH 4.000E+01 2.900 8.609E+03 !R3751 C5H10-2+CH3O<=>C5H92-5+CH3OH 2.170E+11 0.000 6.458E+03 !R3752 C5H91-3+HO2<=>C5H9O1-3+OH 9.640E+12 0.000 0.000E+00 !R3753 C5H91-3+CH3O2<=>C5H9O1-3+CH3O 9.640E+12 0.000 0.000E+00 !R3754 C5H91-3+C2H5O2<=>C5H9O1-3+C2H5O 9.640E+12 0.000 0.000E+00 !R3755 C5H92-4+HO2<=>C5H9O2-4+OH 9.640E+12 0.000 0.000E+00 !R3756 C5H92-4+CH3O2<=>C5H9O2-4+CH3O 9.640E+12 0.000 0.000E+00 !R3757 C5H92-4+C2H5O2<=>C5H9O2-4+C2H5O 9.640E+12 0.000 0.000E+00 !R3758 C4H6+CH3=C5H91-3 1.200E+11 0.000 7500.0 !R3759 C3H6+C2H3<=>C5H91-4 6.300E+11 0.000 3100.0 !R3760 C2H4+C3H5-A<=>C5H91-5 4.000E+11 0.000 13050.0 !R3761 C3H5-T+C2H4=C5H92-5 6.300E+11 0.000 3100.0 !R3762 C5H81-3+H<=>C5H91-3 2.50E+11 0.50 2620 !R3763 C5H81-3+H<=>C5H91-4 2.50E+11 0.50 2620 !R3764 C5H81-3+H<=>C5H92-4 2.50E+11 0.50 2620 !R3765 C5H9O1-3<=>C2H3CHO+C2H5 3.131E+19 -1.850 1.067E+04 !R3766 C5H9O1-3<=>C2H5CHO+C2H3 1.417E+18 -1.560 2.334E+04 !R3767 C5H9O2-4<=>CH3CHO+C3H5-S 1.073E+22 -2.660 2.965E+04 !R3768 C5H81-3+OH<=>CH2O+C4H71-3 1.000E+12 0.000 0.000E+00 !R3769 C5H81-3+OH<=>C2H3CHO+C2H5 1.000E+12 0.000 0.000E+00 !R3770 C5H81-3+OH<=>CH3CHO+C3H5-S 1.000E+12 0.000 0.000E+00 !R3771 C5H10-1+OH<=>C5H10OH-1 1.000E+13 0.00 0.0000+03 !R3772 C5H10OH-1+O2<=>O2C5H10OH-1 .600E+13 0.00 .0 !R3773 O2C5H10OH-1<=>NC3H7CHO+CH2O+OH 2.00E+12 0.00 2.680E+04 !R3774 C5H10-2+OH<=>C5H10OH-2 1.000E+13 0.00 0.0000+03 !R3775 C5H10OH-2+O2<=>O2C5H10OH-2 .600E+13 0.00 .0 !R3776 O2C5H10OH-2<=>C2H5CHO+CH3CHO+OH 2.00E+12 0.00 2.680E+04 !R3777 C4H71-4+CH3=C5H10-1 1.000E+13 0.00 0.000E+00 !R3778 C5H91-3+O2=C5H92O2-1 2.00E+12 0.0 0.0 !R3779 C5H91-3+O2=C5H91O2-3 2.00E+12 0.0 0.0 !R3780 C5H91-4+O2=C5H91O2-4 7.54E+12 0.0 0.0 !R3781 C5H91-5+O2=C5H91O2-5 4.52E+12 0.0 0.0 !R3782 C5H92-4+O2=C5H92O2-4 2.00E+12 0.0 0.0 !R3783 C5H92-5+O2=C5H92O2-5 4.52E+12 0.0 0.0 !R3784 C5H91-5<=>C5H91-3 3.80E+10 0.7 28400.0 !R3785 C5H91O2-3<=>C5H81-3+HO2 10.040E+38 -8.11 4.05E+04 !R3786 C5H91O2-4<=>C5H81-3+HO2 5.040E+38 -8.11 3.85E+04 !R3787 C5H91O2-4<=>C5H81-4+HO2 10.080E+42 -9.41 4.15E+04 !R3788 C5H91O2-5<=>C5H81-4+HO2 10.040E+38 -8.11 4.05E+04 !R3789 C5H92O2-4<=>C5H81-3+HO2 10.080E+42 -9.41 4.15E+04 !R3790 C5H92O2-5<=>C5H81-3+HO2 5.040E+38 -8.11 3.85E+04 !R3791 C5H91O2-3=C5H81OOH3-4 2.00E+11 0.0 26450.0 !R3792 C5H91O2-3=C5H81OOH3-5 3.75E+10 0.0 24000.0 !R3793 C5H91O2-4=C5H81OOH4-3 1.00E+11 0.0 23450.0 !R3797 C5H92O2-5=C5H82OOH5-4 1.00E+11 0.0 23450.0 !R3798 C5H92O2-4=C5H82OOH4-5 3.00E+11 0.0 29000.0 !R3799 HO2+C5H81-3=>CY3C5H8O+OH 4.85E+11 0.0 12700.0 !R3800 HO2+C5H81-4=>CY3C5H8O+OH 4.85E+11 0.0 12700.0 !R3801 HO2+C5H81-3<=>C5H81OOH3-4 1.00E+11 0.0 12000.0 !R3802 HO2+C5H81-3<=>C5H81OOH4-3 1.00E+11 0.0 11000.0 !R3805 HO2+C5H81-3<=>C5H82OOH4-5 1.00E+11 0.0 13700.0 !R3807 C5H81OOH3-5=C2H4+C2H3CHO+OH 3.00E+13 0.0 30000.0 !R3812 C5H81OOH3-4+O2=C5H81OOH3-4O2 7.54E+12 0.0 0.0 !R3813 C5H81OOH3-5+O2=C5H81OOH3-5O2 4.52E+12 0.0 0.0 !R3818 C5H82OOH4-5+O2=C5H82OOH4-5O2 4.52E+12 0.0 0.0 !R3819 C5H82OOH5-4+O2=C5H82OOH5-4O2 2.00E+12 0.0 0.0 !R3820 C5H81OOH3-4O2=>NC5D1KET34+OH 5.00E+10 0.0 20450.0 !R3821 C5H81OOH3-5O2=>NC5D1KET35+OH 6.25E+09 0.0 14450.0 !R3826 C5H82OOH4-5O2=>NC5D2KET45+OH 5.00E+10 0.0 20450.0 !R3828 NC5D1KET34=>OH+C2H3CO+CH3CHO 1.00E+16 0.0 39000.0 !R3829 NC5D1KET35=>OH+HCO+C2H3COCH3 1.00E+16 0.0 39000.0 !R3834 NC5D2KET45=>OH+AC3H5CO+CH2O 1.00E+16 0.0 39000.0 !R3836 C5H81OOH3-4=>CY3C5H8O+OH 6.00E+11 0.0 22000.0 !R3837 C5H81OOH3-5=>CY3C5H8O+OH 7.50E+10 0.0 15250.0 !R3838 C5H81OOH4-3=>CY3C5H8O+OH 9.375E+09 0.000 07000.0 !!!!6.00E+11 0.0 22000.0 !R3842 C5H82OOH5-4=>CY3C5H8O+OH 9.375E+09 0.000 07000.0 !R3843 C5H82OOH4-5=>CY3C5H8O+OH 6.00E+11 0.0 22000.0 !R3844 O2+CY3C5H8O=>HO2+C2H3CHO+C2H3 2.04E+07 2.0 40722.5 !R3845 H+CY3C5H8O=>H2+C2H3CHO+C2H3 2.57E+07 2.0 3950.6 !R3846 OH+CY3C5H8O=>H2O+C2H3CHO+C2H3 4.79E+06 2.0 -2259.8 !R3847 O+CY3C5H8O=>OH+C2H3CHO+C2H3 1.62E+07 2.0 2579.5 !R3848 HO2+CY3C5H8O=>H2O2+C2H3CHO+C2H3 6.46E+05 2.0 11887.7 !R3849 HCO+CY3C5H8O=>CH2O+C2H3CHO+C2H3 1.52E+06 2.0 12360.4 !R3850 CH3+CY3C5H8O=>CH4+C2H3CHO+C2H3 4.68E+05 2.0 4871.3 !R3851 C2H5+CY3C5H8O=>C2H6+C2H3CHO+C2H3 2.76E+05 2.0 7658.1 !R3852 CH3O+CY3C5H8O=>CH3OH+C2H3CHO+C2H3 5.14E+05 2.0 1583.6 !R3853 CH3O2+CY3C5H8O=>CH3O2H+C2H3CHO+C2H3 9.13E+05 2.0 12360.4 !R3854 C5H81-3+H<=>C5H91-1 4.25E+11 0.5 1230.0 !R3855 C5H81-4+H<=>C5H91-4 2.50E+11 0.5 2620.0 !R3856 C5H81-3+O=>C4H71-3+HCO 2.00E+11 0.0 -1050.0 !R3857 C5H81-4+O=>C4H71-4+HCO 2.00E+11 0.0 -1050.0 !R3858 C5H81-4+OH=>C3H5-A+CH3CHO 2.00E+12 0.0 0.0 !R3859 C5H11-1+O2<=>C5H10-1+HO2 8.370E-01 3.590 1.196E+04 REV/ 1.307E+00 3.420 2.781E+04 / !R3860 C5H11-2+O2<=>C5H10-1+HO2 5.350E-01 3.710 9.322E+03 REV/ 2.021E+01 3.137 2.274E+04 / !R3861 C5H11-2+O2<=>C5H10-2+HO2 1.070E+00 3.710 9.322E+03 REV/ 1.406E+00 3.738 2.559E+04 / !R3862 C5H11-3+O2<=>C5H10-2+HO2 2.140E+00 3.710 9.322E+03 REV/ 1.355E+00 3.743 2.558E+04 / !R3863 C5H11-1+HO2<=>C5H11O-1+OH 9.000E+12 0.000 -1.000E+03 REV/ 1.944E+15 -0.479 2.621E+04 / !R3866 C5H11-1+CH3O2<=>C5H11O-1+CH3O 9.000E+12 0.000 -1.000E+03 REV/ 1.216E+14 -0.180 3.045E+04 / !R3869 C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-1 1.210E+13 0.000 2.043E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3872 C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-2 8.064E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3875 C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-3 4.032E+12 0.000 1.770E+04 REV/ 1.440E+10 0.000 1.500E+04 / !R3878 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 / !R3889 C5H11O2-1+CH3O2<=>O2+C5H11O-1+CH3O 1.400E+16 -1.610 1.860E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3890 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 / !R3891 H2O2+C5H11O2-1<=>HO2+C5H11O2H-1 2.400E+12 0.000 1.000E+04 REV/ 2.400E+12 0.000 1.000E+04 / !R3892 C5H11O2-1+HO2<=>C5H11O2H-1+O2 1.750E+10 0.000 -3.275E+03 REV/ 3.746E+13 -0.791 3.362E+04 / !R3902 C5H11O2H-1<=>C5H11O-1+OH 1.500E+16 0.000 4.250E+04 REV/ 2.927E+07 1.932 -3.022E+03 / !R3905 C5H11O-1<=>CH2O+PC4H9 5.661E+20 -2.247 2.496E+04 REV/ 6.250E+10 0.000 1.190E+04 / !R3908 C5H11O2-1<=>C5H11-1+O2 2.338E+20 -1.620 3.583E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3909 C5H11O2-2<=>C5H11-2+O2 7.087E+22 -2.287 3.815E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3910 C5H11O2-3<=>C5H11-3+O2 3.415E+22 -2.282 3.815E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3911 C5H11O2-1<=>C5H10OOH1-2 2.000E+11 0.000 2.685E+04 REV/ 2.083E+10 -0.106 1.385E+04 / !R3912 C5H11O2-1<=>C5H10OOH1-3 2.500E+10 0.000 2.085E+04 REV/ 2.604E+09 -0.106 7.850E+03 / !R3913 C5H11O2-1<=>C5H10OOH1-4 3.125E+09 0.000 1.905E+04 REV/ 3.255E+08 -0.106 6.050E+03 / !R3916 C5H11O2-2<=>C5H10OOH2-3 2.000E+11 0.000 2.685E+04 REV/ 2.698E+10 -0.140 1.390E+04 / !R3917 C5H11O2-2<=>C5H10OOH2-4 2.500E+10 0.000 2.085E+04 REV/ 3.372E+09 -0.140 7.900E+03 / !R3919 C5H11O2-3<=>C5H10OOH3-1 7.500E+10 0.000 2.440E+04 REV/ 1.948E+11 -0.517 8.960E+03 / !R3920 C5H11O2-3<=>C5H10OOH3-2 4.000E+11 0.000 2.685E+04 REV/ 5.396E+10 -0.140 1.390E+04 / !R3921 C5H11O2-1<=>C5H10-1+HO2 5.044E+38 -8.110 4.049E+04 REV/ 1.523E+31 -6.660 2.051E+04 / !R3922 C5H11O2-2<=>C5H10-1+HO2 5.075E+42 -9.410 4.149E+04 REV/ 2.039E+34 -7.696 1.675E+04 / !R3923 C5H11O2-2<=>C5H10-2+HO2 5.044E+38 -8.110 4.049E+04 REV/ 7.050E+28 -5.795 1.860E+04 / !R3924 C5H11O2-3<=>C5H10-2+HO2 1.009E+39 -8.110 4.049E+04 REV/ 1.410E+29 -5.795 1.860E+04 / !R3926 C5H10OOH1-3<=>C5H10O1-3+OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3927 C5H10OOH1-4<=>C5H10O1-4+OH 9.375E+09 0.000 6.000E+03 REV/ 0.000E+00 0.000 0.000E+00 / !R3934 C5H10OOH3-1<=>C5H10O1-3+OH 7.500E+10 0.000 1.525E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3936 C5H10O1-3+OH<=>C2H4+C2H5CO+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3937 C5H10O1-4+OH<=>CH3COCH2+C2H4+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3942 C5H10O1-3+OH<=>HCO+C4H8-1+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3943 C5H10O1-4+OH<=>CH2CHO+C3H6+H2O 2.500E+12 0.000 0.000E+00 REV/ 0.000E+00 0.000 0.000E+00 / !R3948 C5H10O1-3+HO2<=>C2H4+C2H5CO+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3949 C5H10O1-4+HO2<=>CH3COCH2+C2H4+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3954 C5H10O1-3+HO2<=>HCO+C4H8-1+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3955 C5H10O1-4+HO2<=>CH2CHO+C3H6+H2O2 5.000E+12 0.000 1.770E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3959 C5H10OOH1-2<=>C5H10-1+HO2 3.449E+17 -1.556 1.798E+04 REV/ 1.000E+11 0.000 1.100E+04 / !R3961 C5H10OOH2-3<=>C5H10-2+HO2 9.651E+19 -2.455 2.068E+04 REV/ 1.000E+11 0.000 1.175E+04 / !R3962 C5H10OOH3-2<=>C5H10-2+HO2 9.651E+19 -2.455 2.068E+04 REV/ 1.000E+11 0.000 1.175E+04 / !R3963 C5H10OOH1-3<=>OH+CH2O+C4H8-1 8.283E+13 -0.170 3.009E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3964 C5H10OOH2-4<=>OH+CH3CHO+C3H6 8.312E+17 -1.400 2.717E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3965 C5H10OOH3-1<=>OH+C2H5CHO+C2H4 3.096E+18 -1.730 2.682E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3966 C5H10OOH1-2O2<=>C5H10OOH1-2+O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3967 C5H10OOH1-3O2<=>C5H10OOH1-3+O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3968 C5H10OOH1-4O2<=>C5H10OOH1-4+O2 8.039E+22 -2.295 3.797E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3971 C5H10OOH2-3O2<=>C5H10OOH2-3+O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3972 C5H10OOH2-4O2<=>C5H10OOH2-4+O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3974 C5H10OOH3-1O2<=>C5H10OOH3-1+O2 2.572E+20 -1.620 3.565E+04 REV/ 4.520E+12 0.000 0.000E+00 / !R3975 C5H10OOH3-2O2<=>C5H10OOH3-2+O2 7.251E+22 -2.290 3.791E+04 REV/ 7.540E+12 0.000 0.000E+00 / !R3977 C5H10OOH1-3O2<=>NC5KET13+OH 2.500E+10 0.000 2.140E+04 REV/ 1.109E+03 1.533 4.474E+04 / !R3978 C5H10OOH1-4O2<=>NC5KET14+OH 3.125E+09 0.000 1.935E+04 REV/ 1.386E+02 1.533 4.269E+04 / !R3981 C5H10OOH2-3O2<=>NC5KET23+OH 1.000E+11 0.000 2.385E+04 REV/ 1.346E+03 1.773 4.912E+04 / !R3982 C5H10OOH2-4O2<=>NC5KET24+OH 1.250E+10 0.000 1.785E+04 REV/ 5.624E+01 1.946 4.391E+04 / !R3984 C5H10OOH3-1O2<=>NC5KET31+OH 1.250E+10 0.000 1.785E+04 REV/ 6.548E+01 1.882 4.422E+04 / !R3985 C5H10OOH3-2O2<=>NC5KET32+OH 1.000E+11 0.000 2.385E+04 REV/ 9.884E+02 1.781 4.939E+04 / !R3987 NC5KET13<=>C2H5CHO+CH2CHO+OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3988 NC5KET14<=>CH3CHO+CH2CH2CHO+OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3991 NC5KET23<=>C2H5CHO+CH3CO+OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3992 NC5KET24<=>CH3CHO+CH3COCH2+OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3994 NC5KET31<=>CH2O+C2H5COCH2+OH 1.500E+16 0.000 4.200E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3995 NC5KET32<=>CH3CHO+C2H5CO+OH 1.050E+16 0.000 4.160E+04 REV/ 0.000E+00 0.000 0.000E+00 / !R3996 NC6H14<=>C5H11-1+CH3 1.608E+22 -1.61 8.935E+04 REV/ 4.000E+12 0.00 -5.960E+02 / !R3997 NC6H14<=>NC3H7+NC3H7 2.169E+24 -2.19 8.784E+04 REV/ 4.000E+12 0.00 -5.960E+02 / !R3998 NC6H14<=>PC4H9+C2H5 1.617E+24 -2.21 8.858E+04 REV/ 4.000E+12 0.00 -5.960E+02 / !R3999 NC6H14<=>C6H13-1+H 1.356E+17 -0.36 1.012E+05 REV/ 3.610E+13 0.00 0.000E+00 / !R4000 NC6H14<=>C6H13-2+H 2.088E+18 -0.70 9.871E+04 REV/ 3.610E+13 0.00 0.000E+00 / !R4001 NC6H14<=>C6H13-3+H 2.088E+18 -0.70 9.871E+04 REV/ 3.610E+13 0.00 0.000E+00 / !R4002 NC6H14+H<=>C6H13-1+H2 1.880E+05 2.75 6.280E+03 REV/ 1.998E+01 3.38 8.615E+03 / !R4003 NC6H14+H<=>C6H13-2+H2 2.600E+06 2.40 4.471E+03 REV/ 1.795E+01 3.38 9.318E+03 / !R4004 NC6H14+H<=>C6H13-3+H2 2.600E+06 2.40 4.471E+03 REV/ 1.795E+01 3.38 9.318E+03 / !R4005 NC6H14+O<=>C6H13-1+OH 2.092E+06 2.42 4.766E+03 REV/ 1.167E+02 3.04 5.689E+03 / !R4006 NC6H14+O<=>C6H13-2+OH 1.189E+06 2.44 2.846E+03 REV/ 4.308E+00 3.40 6.281E+03 / !R4007 NC6H14+O<=>C6H13-3+OH 1.189E+06 2.44 2.846E+03 REV/ 4.308E+00 3.40 6.281E+03 / !R4008 NC6H14+OH<=>C6H13-1+H2O 2.570E+07 1.80 9.540E+02 REV/ 2.906E+04 2.33 1.818E+04 / !R4009 NC6H14+OH<=>C6H13-2+H2O 4.900E+06 2.00 -5.960E+02 REV/ 3.599E+02 2.87 1.914E+04 / !R4010 NC6H14+OH<=>C6H13-3+H2O 4.900E+06 2.00 -5.960E+02 REV/ 3.599E+02 2.87 1.914E+04 / !R4011 NC6H14+CH3<=>C6H13-1+CH4 9.040E-01 3.65 7.154E+03 REV/ 8.770E-02 3.84 1.103E+04 / !R4012 NC6H14+CH3<=>C6H13-3+CH4 1.680E+05 2.13 7.574E+03 REV/ 1.058E+03 2.67 1.396E+04 / !R4013 NC6H14+CH3<=>C6H13-2+CH4 1.680E+05 2.13 7.574E+03 REV/ 1.058E+03 2.67 1.396E+04 / !R4014 NC6H14+HO2<=>C6H13-1+H2O2 8.100E+04 2.50 1.669E+04 REV/ 4.983E+03 2.44 3.025E+03 / !R4015 NC6H14+HO2<=>C6H13-2+H2O2 1.176E+05 2.50 1.486E+04 REV/ 4.699E+02 2.78 3.709E+03 / !R4016 NC6H14+HO2<=>C6H13-3+H2O2 1.176E+05 2.50 1.486E+04 REV/ 4.699E+02 2.78 3.709E+03 / !R4017 NC6H14+CH3O<=>C6H13-1+CH3OH 3.160E+11 0.00 7.000E+03 REV/ 1.200E+10 0.00 9.200E+03 / !R4018 NC6H14+CH3O<=>C6H13-2+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.910E+09 0.00 7.200E+03 / !R4019 NC6H14+CH3O<=>C6H13-3+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.910E+09 0.00 7.200E+03 / !R4020 NC6H14+O2<=>C6H13-1+HO2 4.200E+13 0.00 5.280E+04 REV/ 2.342E+10 0.29 4.510E+02 / !R4021 NC6H14+O2<=>C6H13-2+HO2 2.800E+13 0.00 5.016E+04 REV/ 1.014E+09 0.63 3.130E+02 / !R4022 NC6H14+O2<=>C6H13-3+HO2 2.800E+13 0.00 5.016E+04 REV/ 1.014E+09 0.63 3.130E+02 / !R4023 NC6H14+C2H5<=>C6H13-1+C2H6 1.000E+11 0.00 1.340E+04 REV/ 3.240E+11 0.00 1.230E+04 / !R4024 NC6H14+C2H5<=>C6H13-2+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4025 NC6H14+C2H5<=>C6H13-3+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4026 NC6H14+C2H3<=>C6H13-1+C2H4 1.000E+12 0.00 1.800E+04 REV/ 2.570E+12 0.00 2.540E+04 / !R4027 NC6H14+C2H3<=>C6H13-2+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / !R4028 NC6H14+C2H3<=>C6H13-3+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / !R4029 NC6H14+CH3O2<=>C6H13-1+CH3O2H 8.100E+04 2.50 1.669E+04 REV/ 9.695E+04 2.00 1.430E+03 / !R4030 NC6H14+CH3O2<=>C6H13-2+CH3O2H 1.176E+05 2.50 1.486E+04 REV/ 9.141E+03 2.34 2.114E+03 / !R4031 NC6H14+CH3O2<=>C6H13-3+CH3O2H 1.176E+05 2.50 1.486E+04 REV/ 9.141E+03 2.34 2.114E+03 / !R4032 NC6H14+O2CHO<=>C6H13-1+HO2CHO 1.680E+13 0.00 2.044E+04 REV/ 5.692E+02 2.30 3.060E+03 / !R4033 NC6H14+O2CHO<=>C6H13-2+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.464E+01 2.64 2.823E+03 / !R4034 NC6H14+O2CHO<=>C6H13-3+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.464E+01 2.64 2.823E+03 / !R4035 C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4038 C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4041 C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4044 NC6H14+C6H13-1<=>NC6H14+C6H13-2 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / !R4045 NC6H14+C6H13-1<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / !R4046 NC6H14+C6H13-2<=>NC6H14+C6H13-3 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / !R4047 C6H13-1+HO2<=>C6H13O-1+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.266E+15 -0.56 2.615E+04 / !R4050 C6H13-1+CH3O2<=>C6H13O-1+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 2.043E+14 -0.26 3.039E+04 / !R4053 C6H13-1+O2<=>C6H12-1+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / !R4054 C6H13-2+O2<=>C6H12-1+HO2 4.500E-19 0.00 5.020E+03 REV/ 2.000E-19 0.00 1.750E+04 / !R4055 C6H13-2+O2<=>C6H12-2+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / !R4056 C6H13-3+O2<=>C6H12-2+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / !R4057 C6H13-3+O2<=>C6H12-3+HO2 3.000E-19 0.00 3.000E+03 REV/ 2.000E-19 0.00 1.750E+04 / !R4058 C6H13-1<=>C2H4+PC4H9 6.391E+19 -1.97 3.064E+04 REV/ 3.300E+11 0.00 7.200E+03 / !R4059 C6H13-1<=>C6H12-1+H 9.621E+13 -0.26 3.600E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4060 C6H13-2<=>C3H6+NC3H7 1.827E+19 -1.80 3.017E+04 REV/ 1.500E+11 0.00 7.200E+03 / !R4061 C6H13-2<=>C6H12-1+H 6.248E+12 0.09 3.682E+04 REV/ 1.000E+13 0.00 1.200E+03 / !R4062 C6H13-2<=>C6H12-2+H 1.271E+13 -0.09 3.565E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4063 C6H13-3<=>C4H8-1+C2H5 1.202E+19 -1.76 3.045E+04 REV/ 1.500E+11 0.00 7.200E+03 / !R4064 C6H13-3<=>C5H10-1+CH3 1.671E+16 -0.93 3.148E+04 REV/ 1.500E+11 0.00 7.200E+03 / !R4065 C6H13-3<=>C6H12-2+H 1.271E+13 -0.09 3.565E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4066 C6H13-3<=>C6H12-3+H 4.659E+12 -0.02 3.574E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4067 C6H13-1<=>C6H13-2 5.478E+08 1.62 3.876E+04 REV/ 3.558E+07 1.97 4.127E+04 / !R4068 C6H13-1<=>C6H13-3 1.495E+09 0.97 3.376E+04 REV/ 9.709E+07 1.31 3.627E+04 / !R4069 O2+C6H12-1=>CH2O+NC4H9CHO .1000E+15 .000 37000.0 !R4070 C6H12-1<=>C3H6+C3H6 4.000E+12 0.00 5.800E+04 ! RETROENE !R4071 C6H12-1<=>NC3H7+C3H5-A 1.000E+16 0.00 7.100E+04 !R4072 C6H12-2<=>C2H5+C4H71-3 1.000E+16 0.00 7.100E+04 !R4073 C6H12-3<=>CH3+C5H91-3 3.000E+16 0.00 7.200E+04 !R4074 C6H111-3+H<=>C6H12-1 1.000E+14 0.00 0.000E+00 !R4075 C5H91-5+CH3<=>C6H12-1 1.000E+13 0.00 0.000E+00 !R4076 PC4H9+C2H3<=>C6H12-1 1.000E+13 0.00 0.000E+00 !!1988TS-887 !R4077 C4H71-4+C2H5<=>C6H12-1 8.000E+12 0.00 0.000E+00 !R4078 C6H111-3+H<=>C6H12-2 1.000E+14 0.00 0.000E+00 !R4079 C6H112-4+H<=>C6H12-2 1.000E+14 0.00 0.000E+00 !R4080 C5H92-5+CH3<=>C6H12-2 1.000E+13 0.00 0.000E+00 !R4081 NC3H7+C3H5-T<=>C6H12-2 1.000E+13 0.00 0.000E+00 !R4082 C6H112-4+H<=>C6H12-3 1.000E+14 0.00 0.000E+00 !R4083 C4H71-1+C2H5<=>C6H12-3 1.000E+13 0.00 0.000E+00 !R4084 C6H12-1+OH=>PC4H9+CH3CHO 1.00E+11 0.00 -2.000E+03 !R4085 C6H12-2+OH=>CH3+NC4H9CHO 0.50E+11 0.00 -2.000E+03 !R4086 C6H12-2+OH=>C2H5CHO+NC3H7 0.50E+11 0.00 -2.000E+03 !R4087 C6H12-3+OH=>PC4H9+CH3CHO 1.000E+11 0.00 -4.000E+03 !R4088 C5H10-1+OH<=>NC3H7+CH3CHO 1.00E+11 0.00 -2.000E+03 !R4089 C5H10-2+OH<=>CH3+NC3H7CHO 1.00E+11 0.00 -2.000E+03 !R4090 C6H12-1+O<=>C5H11-1+HCO 1.000E+11 0.00 -1.050E+03 !R4091 C6H12-2+O<=>PC4H9+CH3CO 1.000E+11 0.00 -1.050E+03 !R4092 C6H12-1+H<=>C6H111-3+H2 3.376E+05 2.36 2.070E+02 !R4093 C6H12-1+H<=>C6H111-4+H2 1.300E+06 2.40 4.471E+03 !R4094 C6H12-1+H<=>C6H111-5+H2 1.300E+06 2.40 4.471E+03 !R4095 C6H12-1+H<=>C6H111-6+H2 6.650E+05 2.54 6.756E+03 !R4096 C6H12-1+OH<=>C6H111-3+H2O 2.764E+04 2.64 -1.919E+03 !R4097 C6H12-1+OH<=>C6H111-4+H2O 4.670E+07 1.61 -3.500E+01 !R4098 C6H12-1+OH<=>C6H111-5+H2O 4.670E+07 1.61 -3.500E+01 !R4099 C6H12-1+OH<=>C6H111-6+H2O 5.270E+09 0.97 1.586E+03 !R4100 C6H12-1+CH3<=>C6H111-3+CH4 3.690E+00 3.31 4.002E+03 !R4101 C6H12-1+CH3<=>C6H111-4+CH4 1.510E+00 3.46 5.481E+03 !R4102 C6H12-1+CH3<=>C6H111-5+CH4 1.510E+00 3.46 5.481E+03 !R4103 C6H12-1+CH3<=>C6H111-6+CH4 4.521E-01 3.65 7.154E+03 !R4104 C6H12-1+HO2<=>C6H111-3+H2O2 9.640E+03 2.55 1.053E+04 !R4105 C6H12-1+HO2<=>C6H111-4+H2O2 1.264E+02 3.37 1.372E+04 !R4106 C6H12-1+HO2<=>C6H111-5+H2O2 1.264E+02 3.37 1.372E+04 !R4107 C6H12-1+HO2<=>C6H111-6+H2O2 4.080E+01 3.59 1.716E+04 !R4108 C6H12-1+CH3O2<=>C6H111-3+CH3O2H 4.820E+03 2.55 1.053E+04 !R4109 C6H12-1+CH3O2<=>C6H111-4+CH3O2H 2.037E+01 3.58 1.481E+04 !R4110 C6H12-1+CH3O2<=>C6H111-5+CH3O2H 2.037E+01 3.58 1.481E+04 !R4111 C6H12-1+CH3O2<=>C6H111-6+CH3O2H 1.386E+00 3.97 1.828E+04 !R4112 C6H12-1+CH3O<=>C6H111-3+CH3OH 4.000E+01 2.90 8.609E+03 !R4113 C6H12-1+CH3O<=>C6H111-4+CH3OH 1.450E+11 0.00 4.571E+03 !R4114 C6H12-1+CH3O<=>C6H111-5+CH3OH 1.450E+11 0.00 4.571E+03 !R4115 C6H12-1+CH3O<=>C6H111-6+CH3OH 2.170E+11 0.00 6.458E+03 !R4116 C6H12-2+H<=>C6H111-3+H2 1.730E+05 2.50 2.492E+03 !R4117 C6H12-2+H<=>C6H112-4+H2 3.376E+05 2.36 2.070E+02 !R4118 C6H12-2+H<=>C6H112-5+H2 1.300E+06 2.40 4.471E+03 !R4119 C6H12-2+H<=>C6H112-6+H2 6.651E+05 2.54 6.756E+03 !R4120 C6H12-2+OH<=>C6H111-3+H2O 3.120E+06 2.00 -12.980E+02 !R4121 C6H12-2+OH<=>C6H112-4+H2O 2.764E+04 2.64 -1.919E+03 !R4122 C6H12-2+OH<=>C6H112-5+H2O 4.670E+07 1.61 -3.500E+01 !R4123 C6H12-2+OH<=>C6H112-6+H2O 5.270E+09 0.97 1.586E+03 !R4124 C6H12-2+CH3<=>C6H111-3+CH4 2.210E+00 3.50 5.675E+03 !R4125 C6H12-2+CH3<=>C6H112-4+CH4 3.690E+00 3.31 4.002E+03 !R4126 C6H12-2+CH3<=>C6H112-5+CH4 1.510E+00 3.46 5.481E+03 !R4127 C6H12-2+CH3<=>C6H112-6+CH4 4.521E-01 3.65 7.154E+03 !R4128 C6H12-2+HO2<=>C6H111-3+H2O2 2.700E+04 2.500 1.234E+04 !R4129 C6H12-2+HO2<=>C6H112-4+H2O2 9.640E+03 2.55 1.053E+04 !R4130 C6H12-2+HO2<=>C6H112-5+H2O2 1.264E+02 3.37 1.372E+04 !R4131 C6H12-2+HO2<=>C6H112-6+H2O2 4.080E+01 3.59 1.716E+04 !R4132 C6H12-2+CH3O2<=>C6H111-3+CH3O2H 9.639E+03 2.60 1.391E+04 !R4133 C6H12-2+CH3O2<=>C6H112-4+CH3O2H 4.820E+03 2.55 1.053E+04 !R4134 C6H12-2+CH3O2<=>C6H112-5+CH3O2H 2.037E+01 3.58 1.481E+04 !R4135 C6H12-2+CH3O2<=>C6H112-6+CH3O2H 1.386E+00 3.97 1.828E+04 !R4136 C6H12-2+CH3O<=>C6H111-3+CH3OH 9.000E+01 2.95 1.199E+04 !R4137 C6H12-2+CH3O<=>C6H112-4+CH3OH 4.000E+01 2.90 8.609E+03 !R4138 C6H12-2+CH3O<=>C6H112-5+CH3OH 1.450E+11 0.00 4.571E+03 !R4139 C6H12-2+CH3O<=>C6H112-6+CH3OH 2.170E+11 0.00 6.458E+03 !R4140 C6H12-3+H<=>C6H113-1+H2 1.330E+06 2.54 6.756E+03 !R4141 C6H12-3+H<=>C6H112-4+H2 6.752E+05 2.36 2.070E+02 !R4142 C6H12-3+OH<=>C6H113-1+H2O 10.540E+09 0.97 1.586E+03 !R4143 C6H12-3+OH<=>C6H112-4+H2O 5.528E+04 2.64 -1.919E+03 !R4144 C6H12-3+CH3<=>C6H113-1+CH4 9.042E-01 3.65 7.154E+03 !R4145 C6H12-3+CH3<=>C6H112-4+CH4 7.380E+00 3.31 4.002E+03 !R4146 C6H12-3+HO2<=>C6H113-1+H2O2 9.520E+04 2.55 1.649E+04 !R4147 C6H12-3+HO2<=>C6H112-4+H2O2 19.280E+03 2.55 1.053E+04 !R4148 C6H12-3+CH3O2<=>C6H113-1+CH3O2H 2.772E+00 3.97 1.828E+04 !R4149 C6H12-3+CH3O2<=>C6H112-4+CH3O2H 9.640E+03 2.55 1.053E+04 !R4150 C6H12-3+CH3O<=>C6H113-1+CH3OH 4.340E+11 0.00 6.458E+03 !R4151 C6H12-3+CH3O<=>C6H112-4+CH3OH 8.000E+01 2.90 8.609E+03 !R4152 C6H111-3+HO2<=>C6H11O1-3+OH 9.640E+12 0.00 0.000E+00 !R4153 C6H111-3+CH3O2<=>C6H11O1-3+CH3O 9.640E+12 0.00 0.000E+00 !R4154 C6H111-3+C2H5O2<=>C6H11O1-3+C2H5O 9.640E+12 0.00 0.000E+00 !R4155 C6H111-6<=>C6H111-3 1.113E+12 0.00 3.170E+04 !R4156 C6H112-4+HO2<=>C6H11O2-4+OH 9.640E+12 0.00 0.000E+00 !R4157 C6H112-4+CH3O2<=>C6H11O2-4+CH3O 9.640E+12 0.00 0.000E+00 !R4158 C6H112-4+C2H5O2<=>C6H11O2-4+C2H5O 9.640E+12 0.00 0.000E+00 !R4159 C6H12-1+O2<=>C6H111-3+HO2 2.200E+12 0.00 3.722E+04 ! !R4160 C6H12-1+O2<=>C6H111-4+HO2 2.800E+13 0.00 5.015E+04 !R4161 C6H12-1+O2<=>C6H111-5+HO2 2.800E+13 0.00 5.015E+04 !R4162 C6H12-1+O2<=>C6H111-6+HO2 4.200E+13 0.00 5.280E+04 !R4163 C6H12-1+O<=>C6H111-3+OH 6.600E+05 2.43 1.210E+03 !R4164 C6H12-1+O<=>C6H111-4+OH 5.510E+05 2.45 2.830E+03 !R4165 C6H12-1+O<=>C6H111-5+OH 5.510E+05 2.45 2.830E+03 !R4166 C6H12-1+O<=>C6H111-6+OH 9.800E+05 2.43 4.750E+03 !R4167 C6H12-2+O2<=>C6H111-3+HO2 5.500E+12 0.00 3.990E+04 !R4168 C6H12-2+O2<=>C6H112-4+HO2 2.200E+12 0.00 3.722E+04 !R4169 C6H12-2+O2<=>C6H112-5+HO2 2.800E+13 0.00 5.015E+04 !R4170 C6H12-2+O2<=>C6H112-6+HO2 4.200E+13 0.00 5.280E+04 !R4171 C6H12-2+O<=>C6H111-3+OH 4.410E+05 2.42 3.150E+03 !R4172 C6H12-2+O<=>C6H112-4+OH 6.600E+05 2.43 1.210E+03 !R4173 C6H12-2+O<=>C6H112-5+OH 5.510E+05 2.45 2.830E+03 !R4174 C6H12-2+O<=>C6H112-6+OH 9.800E+05 2.43 4.750E+03 !R4175 C6H12-3+O2<=>C6H112-4+HO2 4.400E+12 0.00 3.722E+04 !R4176 C6H12-3+O2<=>C6H113-1+HO2 4.200E+13 0.00 5.280E+04 !R4177 C6H12-3+O<=>C6H112-4+OH 1.320E+06 2.43 1.210E+03 !R4178 C6H12-3+O<=>C6H113-1+OH 1.960E+06 2.43 4.750E+03 !R4179 C2H5+C4H6=C6H111-3 8.500E+10 0.000 8300.0 !R4180 CH3+C5H81-4=C6H111-4 1.000E+11 0.000 7800.0 !R4181 C3H5-A+C3H6=C6H111-5 4.000E+11 0.000 16900.0 !MM 1996B-R/M-R829-847 !!!! X2 -1000 !R4182 C4H71-4+C2H4=C6H111-6 8.500E+10 0.000 8300.0 !1.000E+11 0.000 8200.0 !R4183 CH3+C5H81-3=C6H112-4 1.000E+11 0.000 7800.0 !6.000E+10 0.000 7500.0 !MM 1988PER/RIC621 !R4184 C3H5-T+C3H6=C6H112-5 6.300E+11 0.000 3100.0 !R4185 C4H71-3+C2H4=C6H112-6 4.000E+11 0.000 16900.0 !4.000E+11 0.000 13050.0 !MM 2004S-E/REY426-444 !R4186 C4H71-1+C2H4=C6H113-1 6.300E+11 0.000 3100.0 !R4187 C6H111-6<=>C6H111-4 3.80E+10 0.670 3.600E+04 !R4188 C6H111-6<=>C6H111-5 3.56E+10 0.880 3.730E+04 !R4189 C6H112-6<=>C6H112-4 3.80E+10 0.670 2.840E+04 !!!!! CHECK!!!!! !R4190 C6H112-6<=>C6H112-5 3.56E+10 0.880 3.730E+04 !R4191 C6H113-1<=>C6H112-4 3.56E+10 0.880 2.960E+04 !R4194 C6H111-4+O2=C6H111O2-4 .7540E+13 .000 .0 !R4203 C6H111O2-4=>C6H101-3+HO2 5.040E+38 -8.11 3.85E+04 !R4245 C6H102OOH4-5=>ETES1+OH 6.000E+11 0.000 22000.0 !R4247 C6H102OOH5-4=>ETES1+OH 6.000E+11 0.000 22000.0 !MM !R4259 HO2+C6H102-4<=>C6H102OOH4-5 3.80E+11 0.000 8.80E+03 !R4260 HO2+C6H102-4<=>C6H102OOH5-4 3.80E+11 0.000 7.80E+03 !R4265 C6H12OOH1-2<=>C6H12-1+HO2 1.018E+19 -2.02 1.972E+04 !!!MOVED FROM HEXANE LOW TEMPERATURE !R4353 C6H12OH-3=>NC3H7CHO+C2H5 1.500E+13 .000 3.000E+04 !R4354 C6H12-3+O<=>NC3H7+C2H5CO 1.000E+11 0.00 -1.050E+03 !R4360 C6H112-4+HO2=C6H113O2H-2 .9000E+13 .000 .0 !R4361 C6H112-4+HO2=C6H112O2H-4 .9000E+13 .000 .0 !R4369 C6H112O2H-4=>OH+C2H3COCH3+C2H5 .1000E+17 .000 39000.0 !R4372 C6H113O2H-2=>OH+CH3CHO+C4H71-4 .1000E+17 .000 39000.0 !R4374 O2 +ETES1=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49 !R4375 H +ETES1=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57 !R4376 OH +ETES1=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83 !R4377 O +ETES1=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54 !R4378 HO2 +ETES1=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73 !R4379 HCO +ETES1=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44 !R4380 CH3 +ETES1=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29 !R4381 C2H5 +ETES1=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07 !R4382 CH3O +ETES1=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56 !R4383 CH3O2 +ETES1=>CH3O2H+C2H3COCH3+C2H3 .9133E+06 2.0 12360.44 !R4417 O2 +C5H81-4=>HO2 +C3H5-A+C2H2 .5111E+07 2.0 40722.49 !R4418 H +C5H81-4=>H2 +C3H5-A+C2H2 .6435E+07 2.0 3950.57 !R4419 OH +C5H81-4=>H2O +C3H5-A+C2H2 .1198E+07 2.0 -2259.83 !R4420 O +C5H81-4=>OH +C3H5-A+C2H2 .4060E+07 2.0 2579.54 !R4421 HO2 +C5H81-4=>H2O2 +C3H5-A+C2H2 .1616E+06 2.0 11887.73 !R4422 HCO +C5H81-4=>CH2O +C3H5-A+C2H2 .3789E+06 2.0 12360.44 !R4423 CH3 +C5H81-4=>CH4 +C3H5-A+C2H2 .1171E+06 2.0 4871.29 !R4424 C2H5 +C5H81-4=>C2H6 +C3H5-A+C2H2 .6895E+05 2.0 7658.07 !R4425 CH3O +C5H81-4=>CH3OH +C3H5-A+C2H2 .1284E+06 2.0 1583.56 !R4426 CH3O2 +C5H81-4=>CH3O2H+C3H5-A+C2H2 .2283E+06 2.0 12360.44 !R4427 C2H3 +C5H81-4=>C2H4 +C3H5-A+C2H2 .2035E+06 2.0 4871.29 !R4428 C6H101-3+H<=>C6H111-3 2.50E+11 0.50 2620 !R4429 C6H101-3+H<=>C6H111-4 2.50E+11 0.50 2620 !R4430 C6H101-3+H<=>C6H113-1 4.25E+11 0.50 1230 !R4431 C6H101-3+H<=>C6H112-4 2.50E+11 0.50 2620 !R4432 C6H101-4+H<=>C6H111-4 2.50E+11 0.50 2620 !R4433 C6H101-4+H<=>C6H111-5 2.50E+11 0.50 2620 !R4434 C6H101-4+H<=>C6H112-5 4.25E+11 0.50 1230 !R4435 C6H101-4+H<=>C6H112-6 2.50E+11 0.50 2620 !R4436 C6H101-5+H<=>C6H111-5 4.25E+11 0.50 1230 !R4437 C6H101-5+H<=>C6H111-6 2.50E+11 0.50 2620 !R4438 C6H101-3+O=>C5H91-3+HCO 2.000E+11 0.00 -1.050E+03 !R4439 C6H101-4+O=>C5H92-5+HCO 2.000E+11 0.00 -1.050E+03 !R4440 C6H101-5+O=>C5H91-5+HCO 2.000E+11 0.00 -1.050E+03 !R4441 C6H101-3+OH=>C5H91-3+CH2O 1.000E+12 0.000 0.000E+00 !R4442 C6H101-4+OH=>C5H92-5+CH2O 1.000E+12 0.000 0.000E+00 !R4443 C6H101-5+OH=>C5H91-5+CH2O 1.000E+12 0.000 0.000E+00 !R4444 C6H101-3+OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 !R4445 C6H101-4+OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 !R4446 C6H101-5+OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03 !R4447 C6H101-3+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 !R4448 C6H101-4+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 !R4449 C6H101-5+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04 !R4450 C6H101-3+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 !R4451 C6H101-4+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 !R4452 C6H101-5+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02 !R4459 C6H12-3+OH<=>C6H12OH-3 1.000E+13 0.00 0.0000+03 !R4460 C6H12OH-3+O2<=>O2C6H12OH-3 .750E+13 .000 .0 !R4461 O2C6H12OH-3<=>OH+C2H5CHO+C2H5CHO 2.00E+12 0.00 2.680E+04 !R4462 C6H111-3+C6H12-2=C6H12-2+C6H112-4 7.900E+10 0.000 1.240E+04 !R4463 C6H11O1-3<=>C2H3CHO+NC3H7 1.427E+20 -2.04 1.123E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4464 C6H11O1-3<=>NC3H7CHO+C2H3 2.400E+18 -1.63 2.341E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4465 C6H11O2-4<=>SC3H5CHO+C2H5 5.449E+19 -1.92 1.076E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4466 C6H11O2-4<=>C2H5CHO+C3H5-S 2.346E+22 -2.58 2.931E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4467 C6H13O2-1<=>C6H13-1+O2 5.150E+20 -1.71 3.579E+04 REV/ 4.520E+12 0.00 0.000E+00 / !R4470 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 / !R4479 C6H13O2-1<=>C6H12-1+HO2 5.044E+38 -8.11 4.049E+04 REV/ 9.638E+29 -6.22 2.047E+04 / !R4483 C6H13O2-1<=>C6H12OOH1-2 2.000E+11 0.00 2.685E+04 REV/ 2.402E+10 -0.12 1.386E+04 / !R4484 C6H13O2-1<=>C6H12OOH1-3 2.500E+10 0.00 2.085E+04 REV/ 3.003E+09 -0.12 7.860E+03 / !R4485 C6H13O2-1<=>C6H12OOH1-4 3.125E+09 0.00 1.905E+04 REV/ 3.754E+08 -0.12 6.060E+03 / !R4497 C6H13O2-1+HO2<=>C6H13O2H-1+O2 1.750E+10 0.00 -3.275E+03 REV/ 3.538E+13 -0.78 3.360E+04 / !R4500 C6H13O2-1+H2O2<=>C6H13O2H-1+HO2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / !R4503 C6H13O2-1+CH3O2<=>C6H13O-1+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4506 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 / !R4512 C6H13O2H-1<=>C6H13O-1+OH 1.000E+16 0.00 3.900E+04 REV/ 2.025E+07 1.93 -6.512E+03 / !R4515 C6H13O-1<=>C5H11-1+CH2O 5.226E+20 -2.08 2.483E+04 REV/ 1.000E+11 0.00 1.190E+04 / !R4519 C6H12OOH1-3<=>C6H12O1-3+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4520 C6H12OOH1-4<=>C6H12O1-4+OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4532 C6H12OOH1-3<=>OH+CH2O+C5H10-1 7.703E+13 -0.16 3.009E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4537 C6H12OOH1-3O2<=>C6H12OOH1-3+O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R4538 C6H12OOH1-4O2<=>C6H12OOH1-4+O2 8.868E+22 -2.31 3.798E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R4551 C6H12OOH1-3O2<=>NC6KET13+OH 2.500E+10 0.00 2.140E+04 REV/ 8.825E+02 1.56 4.471E+04 / !R4552 C6H12OOH1-4O2<=>NC6KET14+OH 3.125E+09 0.00 1.935E+04 REV/ 1.103E+02 1.56 4.266E+04 / !R4565 NC6KET13<=>NC3H7CHO+CH2CHO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4566 NC6KET14<=>C2H5CHO+CH2CH2CHO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4579 C6H12O1-3+OH<=>C5H10-1+HCO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R4580 C6H12O1-4+OH<=>C4H8-1+CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R4587 C6H12O1-3+OH<=>C2H4+NC3H7CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R4588 C6H12O1-4+OH<=>C2H4+C2H5COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R4595 C6H12O1-3+HO2<=>C5H10-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4596 C6H12O1-4+HO2<=>C4H8-1+CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4603 C6H12O1-3+HO2<=>C2H4+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4604 C6H12O1-4+HO2<=>C2H4+C2H5COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4610 NC4H9CHO+O2<=>NC4H9CO+HO2 2.000E+13 0.50 4.220E+04 REV/ 1.000E+07 0.00 4.000E+04 / !R4611 NC4H9CHO+OH<=>NC4H9CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 2.143E+10 0.73 3.124E+04 / !R4612 NC4H9CHO+H<=>NC4H9CO+H2 4.000E+13 0.00 4.200E+03 REV/ 1.800E+13 0.00 2.400E+04 / !R4613 NC4H9CHO+O<=>NC4H9CO+OH 5.000E+12 0.00 1.790E+03 REV/ 1.000E+12 0.00 1.900E+04 / !R4614 NC4H9CHO+HO2<=>NC4H9CO+H2O2 2.800E+12 0.00 1.360E+04 REV/ 1.000E+12 0.00 1.000E+04 / !R4615 NC4H9CHO+CH3<=>NC4H9CO+CH4 1.700E+12 0.00 8.440E+03 REV/ 1.500E+13 0.00 2.800E+04 / !R4616 NC4H9CHO+CH3O<=>NC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03 REV/ 3.000E+11 0.00 1.800E+04 / !R4617 NC4H9CHO+CH3O2<=>NC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV/ 2.500E+10 0.00 1.000E+04 / !R4619 NC4H9CHO+OH<=>C4H8CHO-2+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.837E+05 1.93 2.192E+04 / !R4620 NC4H9CHO+OH<=>C4H8CHO-3+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.837E+05 1.93 2.192E+04 / !R4621 NC4H9CHO+OH<=>C4H8CHO-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 1.202E+09 1.34 2.887E+04 / !R4622 NC4H9CO<=>PC4H9+CO 1.000E+11 0.00 9.600E+03 REV/ 1.000E+11 0.00 0.000E+00 / !R4624 C4H8CHO-2<=>C3H6+CH2CHO 2.984E+14 -0.76 2.332E+04 REV/ 1.000E+11 0.00 7.800E+03 / !R4625 C4H8CHO-3<=>C4H8-1+HCO 4.797E+14 -0.72 2.435E+04 REV/ 1.000E+11 0.00 7.800E+03 / !R4627 C4H8CHO-4<=>C2H3CHO+C2H5 1.863E+18 -1.30 3.083E+04 REV/ 1.000E+11 0.00 7.800E+03 / !R4635 AC3H5CO<=>C3H5-A+CO 6.199E+15 -1.09 -3.300E+02 REV/ 1.500E+11 0.00 4.810E+03 / !R4638 NC3H7COCH3+OH<=>C3H6COCH3-2+H2O 3.615E+07 1.64 -2.470E+02 REV/ 3.668E+05 2.01 2.166E+04 / !R4639 NC3H7COCH3+OH<=>C3H6COCH3-3+H2O 8.450E+11 0.00 -2.280E+02 REV/ 2.368E+13 -0.28 2.870E+04 / !R4640 NC3H7COCH3+OH<=>NC3H7COCH2+H2O 5.100E+11 0.00 1.192E+03 REV/ 9.286E+13 -0.74 2.773E+04 / !R4642 NC3H7COCH3+HO2<=>C3H6COCH3-2+H2O2 5.600E+12 0.00 1.770E+04 REV/ 3.373E+11 0.05 8.142E+03 / !R4643 NC3H7COCH3+HO2<=>C3H6COCH3-3+H2O2 2.000E+11 0.00 8.698E+03 REV/ 3.327E+13 -0.60 6.160E+03 / !R4644 NC3H7COCH3+HO2<=>NC3H7COCH2+H2O2 2.380E+04 2.55 1.469E+04 REV/ 2.572E+07 1.48 9.762E+03 / !R4646 NC3H7COCH3+CH3O2<=>C3H6COCH3-2+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 4.926E+11 -0.13 6.774E+03 / !R4647 NC3H7COCH3+CH3O2<=>C3H6COCH3-3+CH3O2H 2.000E+12 0.00 1.525E+04 REV/ 1.367E+15 -0.78 1.199E+04 / !R4648 NC3H7COCH3+CH3O2<=>NC3H7COCH2+CH3O2H 3.010E+12 0.00 1.758E+04 REV/ 1.337E+16 -1.25 1.193E+04 / !R4650 C3H6COCH3-2<=>C3H6+CH3CO 2.719E+16 -1.05 2.559E+04 REV/ 1.000E+11 0.00 7.800E+03 / !R4651 C3H6COCH3-3<=>C2H3COCH3+CH3 9.615E+15 -0.75 3.239E+04 REV/ 1.000E+11 0.00 7.800E+03 / !R4652 NC3H7COCH2<=>NC3H7+CH2CO 1.226E+18 -1.40 4.345E+04 REV/ 1.000E+11 0.00 1.160E+04 / !R4653 C2H5COC2H5+OH<=>C2H5COC2H4P+H2O 1.054E+10 0.97 1.586E+03 REV/ 1.194E+09 0.95 2.103E+04 / !R4655 C2H5COC2H5+HO2<=>C2H5COC2H4P+H2O2 4.760E+04 2.55 1.649E+04 REV/ 3.201E+04 2.20 4.472E+03 / !R4657 C2H5COC2H5+O2<=>C2H5COC2H4P+HO2 4.100E+13 0.00 5.131E+04 REV/ 1.949E+10 0.31 -1.882E+03 / !R4659 C2H5COC2H5+H<=>C2H5COC2H4P+H2 1.832E+07 2.00 7.700E+03 REV/ 4.794E+05 1.98 1.199E+04 / !R4661 C2H5COC2H5+C2H3<=>C2H5COC2H4P+C2H4 1.000E+12 0.00 1.040E+04 REV/ 3.850E+08 0.81 1.404E+04 / !R4663 C2H5COC2H5+C2H5<=>C2H5COC2H4P+C2H6 1.000E+11 0.00 1.340E+04 REV/ 1.070E+13 -0.58 1.400E+04 / !R4665 C2H5COC2H5+CH3O<=>C2H5COC2H4P+CH3OH 4.340E+11 0.00 6.460E+03 REV/ 5.475E+09 0.00 9.020E+03 / !R4667 C2H5COC2H5+CH3O2<=>C2H5COC2H4P+CH3O2H 6.020E+12 0.00 1.938E+04 REV/ 1.664E+13 -0.52 6.642E+03 / !R4669 C2H5COC2H4P<=>C2H5CO+C2H4 1.769E+17 -1.46 2.954E+04 REV/ 8.000E+10 0.00 1.130E+04 / !R4682 NC7H16<=>H+C7H15-1 2.680E+88 -21.17 1.428E+05 REV/ 7.264E+84 -20.81 4.156E+04 / !R4683 NC7H16<=>H+C7H15-2 1.300E+88 -21.01 1.395E+05 REV/ 2.263E+83 -20.31 4.083E+04 / !R4684 NC7H16<=>H+C7H15-3 1.300E+88 -21.01 1.395E+05 REV/ 2.263E+83 -20.31 4.083E+04 / !R4685 NC7H16<=>H+C7H15-4 6.500E+87 -21.01 1.395E+05 REV/ 2.255E+83 -20.31 4.083E+04 / !R4686 NC7H16(+M)<=>C6H13-1+CH3(+M) 4.325E+24 -2.12 8.990E+04 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 !R4687 NC7H16(+M)<=>C5H11-1+C2H5(+M) 6.818E+26 -2.70 8.891E+04 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 !R4688 NC7H16(+M)<=>PC4H9+NC3H7(+M) 1.362E+26 -2.53 8.876E+04 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 !R4689 NC7H16+H<=>C7H15-1+H2 1.880E+05 2.75 6.280E+03 REV/ 2.037E+01 3.38 8.618E+03 / !R4690 NC7H16+H<=>C7H15-2+H2 2.600E+06 2.40 4.471E+03 REV/ 1.807E+01 3.38 9.318E+03 / !R4691 NC7H16+H<=>C7H15-3+H2 2.600E+06 2.40 4.471E+03 REV/ 1.807E+01 3.38 9.318E+03 / !R4692 NC7H16+H<=>C7H15-4+H2 1.300E+06 2.40 4.471E+03 REV/ 1.800E+01 3.38 9.318E+03 / !R4693 NC7H16+O<=>C7H15-1+OH 1.930E+05 2.68 3.716E+03 REV/ 1.085E+01 3.29 4.642E+03 / !R4694 NC7H16+O<=>C7H15-2+OH 9.540E+04 2.71 2.106E+03 REV/ 3.481E-01 3.67 5.541E+03 / !R4695 NC7H16+O<=>C7H15-3+OH 9.540E+04 2.71 2.106E+03 REV/ 3.481E-01 3.67 5.541E+03 / !R4696 NC7H16+O<=>C7H15-4+OH 4.770E+04 2.71 2.106E+03 REV/ 3.468E-01 3.67 5.541E+03 / !R4697 NC7H16+OH<=>C7H15-1+H2O 2.570E+07 1.80 9.540E+02 REV/ 2.952E+04 2.33 1.818E+04 / !R4698 NC7H16+OH<=>C7H15-2+H2O 4.900E+06 2.00 -5.960E+02 REV/ 3.624E+02 2.87 1.914E+04 / !R4699 NC7H16+OH<=>C7H15-3+H2O 4.900E+06 2.00 -5.960E+02 REV/ 3.624E+02 2.87 1.914E+04 / !R4700 NC7H16+OH<=>C7H15-4+H2O 2.450E+06 2.00 -5.960E+02 REV/ 3.610E+02 2.87 1.914E+04 / !R4701 NC7H16+HO2<=>C7H15-1+H2O2 4.080E+01 3.59 1.716E+04 REV/ 2.557E+00 3.53 3.498E+03 / !R4702 NC7H16+HO2<=>C7H15-2+H2O2 1.264E+02 3.37 1.372E+04 REV/ 4.982E-01 3.66 2.562E+03 / !R4703 NC7H16+HO2<=>C7H15-3+H2O2 1.264E+02 3.37 1.372E+04 REV/ 4.982E-01 3.66 2.562E+03 / !R4704 NC7H16+HO2<=>C7H15-4+H2O2 6.320E+01 3.37 1.372E+04 REV/ 4.952E-01 3.66 2.562E+03 / !R4705 NC7H16+CH3<=>C7H15-1+CH4 9.040E-01 3.65 7.154E+03 REV/ 8.935E-02 3.84 1.103E+04 / !R4706 NC7H16+CH3<=>C7H15-2+CH4 5.410E+04 2.26 7.287E+03 REV/ 3.432E+02 2.79 1.367E+04 / !R4707 NC7H16+CH3<=>C7H15-3+CH4 5.410E+04 2.26 7.287E+03 REV/ 3.432E+02 2.79 1.367E+04 / !R4708 NC7H16+CH3<=>C7H15-4+CH4 2.705E+04 2.26 7.287E+03 REV/ 3.419E+02 2.79 1.367E+04 / !R4709 NC7H16+O2<=>C7H15-1+HO2 4.200E+13 0.00 5.280E+04 REV/ 2.386E+10 0.28 4.530E+02 / !R4710 NC7H16+O2<=>C7H15-2+HO2 2.800E+13 0.00 5.015E+04 REV/ 1.000E+09 0.63 3.090E+02 / !R4711 NC7H16+O2<=>C7H15-3+HO2 2.800E+13 0.00 5.015E+04 REV/ 1.000E+09 0.63 3.090E+02 / !R4712 NC7H16+O2<=>C7H15-4+HO2 1.400E+13 0.00 5.015E+04 REV/ 9.941E+08 0.63 3.090E+02 / !R4713 NC7H16+C2H5<=>C7H15-1+C2H6 1.000E+11 0.00 1.340E+04 REV/ 3.200E+11 0.00 1.230E+04 / !R4714 NC7H16+C2H5<=>C7H15-2+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4715 NC7H16+C2H5<=>C7H15-3+C2H6 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4716 NC7H16+C2H5<=>C7H15-4+C2H6 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4717 NC7H16+CH3O<=>C7H15-1+CH3OH 3.160E+11 0.00 7.000E+03 REV/ 1.200E+10 0.00 9.200E+03 / !R4718 NC7H16+CH3O<=>C7H15-2+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / !R4719 NC7H16+CH3O<=>C7H15-3+CH3OH 2.190E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / !R4720 NC7H16+CH3O<=>C7H15-4+CH3OH 1.095E+11 0.00 5.000E+03 REV/ 8.900E+09 0.00 7.200E+03 / !R4721 NC7H16+C2H3<=>C7H15-1+C2H4 1.000E+12 0.00 1.800E+04 REV/ 2.570E+12 0.00 2.540E+04 / !R4722 NC7H16+C2H3<=>C7H15-2+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / !R4723 NC7H16+C2H3<=>C7H15-3+C2H4 8.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / !R4724 NC7H16+C2H3<=>C7H15-4+C2H4 4.000E+11 0.00 1.680E+04 REV/ 2.000E+12 0.00 2.420E+04 / !R4725 NC7H16+CH3O2<=>C7H15-1+CH3O2H 1.386E+00 3.97 1.828E+04 REV/ 1.690E+00 3.46 3.024E+03 / !R4726 NC7H16+CH3O2<=>C7H15-2+CH3O2H 2.037E+01 3.58 1.481E+04 REV/ 1.562E+00 3.42 2.054E+03 / !R4727 NC7H16+CH3O2<=>C7H15-3+CH3O2H 2.037E+01 3.58 1.481E+04 REV/ 1.562E+00 3.42 2.054E+03 / !R4728 NC7H16+CH3O2<=>C7H15-4+CH3O2H 1.019E+01 3.58 1.481E+04 REV/ 1.553E+00 3.42 2.054E+03 / !R4729 NC7H16+O2CHO<=>C7H15-1+HO2CHO 1.680E+13 0.00 2.044E+04 REV/ 1.170E+03 2.25 3.057E+03 / !R4730 NC7H16+O2CHO<=>C7H15-2+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.482E+01 2.64 2.823E+03 / !R4731 NC7H16+O2CHO<=>C7H15-3+HO2CHO 1.120E+13 0.00 1.769E+04 REV/ 2.482E+01 2.64 2.823E+03 / !R4732 NC7H16+O2CHO<=>C7H15-4+HO2CHO 5.600E+12 0.00 1.769E+04 REV/ 2.472E+01 2.64 2.823E+03 / !R4733 NC7H16+C7H15O2-1<=>C7H15-1+C7H15O2H-1 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4734 NC7H16+C7H15O2-2<=>C7H15-1+C7H15O2H-2 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4735 NC7H16+C7H15O2-3<=>C7H15-1+C7H15O2H-3 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4736 NC7H16+C7H15O2-4<=>C7H15-1+C7H15O2H-4 1.210E+13 0.00 2.043E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4737 NC7H16+C7H15O2-1<=>C7H15-2+C7H15O2H-1 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4738 NC7H16+C7H15O2-2<=>C7H15-2+C7H15O2H-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4739 NC7H16+C7H15O2-3<=>C7H15-2+C7H15O2H-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4740 NC7H16+C7H15O2-4<=>C7H15-2+C7H15O2H-4 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4741 NC7H16+C7H15O2-1<=>C7H15-3+C7H15O2H-1 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4742 NC7H16+C7H15O2-2<=>C7H15-3+C7H15O2H-2 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4743 NC7H16+C7H15O2-3<=>C7H15-3+C7H15O2H-3 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4744 NC7H16+C7H15O2-4<=>C7H15-3+C7H15O2H-4 8.064E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4745 NC7H16+C7H15O2-1<=>C7H15-4+C7H15O2H-1 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4746 NC7H16+C7H15O2-2<=>C7H15-4+C7H15O2H-2 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4747 NC7H16+C7H15O2-3<=>C7H15-4+C7H15O2H-3 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4748 NC7H16+C7H15O2-4<=>C7H15-4+C7H15O2H-4 4.032E+12 0.00 1.770E+04 REV/ 1.440E+10 0.00 1.500E+04 / !R4749 NC7H16+C7H15-1<=>C7H15-2+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / !R4750 NC7H16+C7H15-1<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / !R4751 NC7H16+C7H15-1<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.500E+11 0.00 1.230E+04 / !R4752 NC7H16+C7H15-2<=>C7H15-3+NC7H16 1.000E+11 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / !R4753 NC7H16+C7H15-2<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / !R4754 NC7H16+C7H15-3<=>C7H15-4+NC7H16 5.000E+10 0.00 1.040E+04 REV/ 1.000E+11 0.00 1.040E+04 / !R4755 C7H15-1<=>C5H11-1+C2H4 1.227E+19 -1.91 3.140E+04 REV/ 1.000E+11 0.00 8.200E+03 / !R4756 C7H15-1<=>C7H14-1+H 9.648E+13 -0.26 3.601E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4757 C7H15-2<=>PC4H9+C3H6 9.764E+18 -1.79 3.136E+04 REV/ 1.000E+11 0.00 8.200E+03 / !R4758 C7H15-2<=>C7H14-1+H 6.067E+12 0.09 3.681E+04 REV/ 1.000E+13 0.00 1.200E+03 / !R4759 C7H15-2<=>C7H14-2+H 1.229E+13 -0.08 3.564E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4760 C7H15-3<=>C4H8-1+NC3H7 6.165E+18 -1.71 3.096E+04 REV/ 1.000E+11 0.00 7.700E+03 / !R4761 C7H15-3<=>C6H12-1+CH3 2.698E+17 -1.35 3.148E+04 REV/ 1.750E+11 0.00 7.200E+03 / !R4762 C7H15-3<=>C7H14-2+H 1.229E+13 -0.08 3.564E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4763 C7H15-3<=>C7H14-3+H 9.152E+12 -0.02 3.573E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4764 C7H15-4<=>C2H5+C5H10-1 1.143E+18 -1.34 3.143E+04 REV/ 1.000E+11 0.00 8.200E+03 / !R4765 C7H15-4<=>C7H14-3+H 1.819E+13 -0.02 3.573E+04 REV/ 1.000E+13 0.00 2.900E+03 / !R4766 C7H15-1+O2<=>C7H14-1+HO2 3.000E-09 0.00 3.000E+03 REV/ 6.517E-10 0.18 1.876E+04 / !R4767 C7H15-2+O2<=>C7H14-1+HO2 4.500E-09 0.00 5.020E+03 REV/ 1.532E-08 -0.16 1.827E+04 / !R4768 C7H15-2+O2<=>C7H14-2+HO2 3.000E-09 0.00 3.000E+03 REV/ 5.040E-09 0.01 1.912E+04 / !R4769 C7H15-3+O2<=>C7H14-2+HO2 3.000E-09 0.00 3.000E+03 REV/ 5.040E-09 0.01 1.912E+04 / !R4770 C7H15-3+O2<=>C7H14-3+HO2 3.000E-09 0.00 3.000E+03 REV/ 6.769E-09 -0.05 1.903E+04 / !R4771 C7H15-4+O2<=>C7H14-3+HO2 6.000E-09 0.00 3.000E+03 REV/ 6.795E-09 -0.05 1.903E+04 / !R4772 C7H15-1<=>C7H15-3 1.386E+09 0.98 3.376E+04 REV/ 8.716E+07 1.33 3.627E+04 / !R4773 C7H15-1<=>C7H15-4 2.541E+09 0.35 1.976E+04 REV/ 3.176E+08 0.70 2.227E+04 / !R4774 C7H15-2<=>C7H15-3 9.587E+08 1.39 3.970E+04 REV/ 9.587E+08 1.39 3.970E+04 / !R4775 C7H15-1<=>C7H15-2 5.478E+08 1.62 3.876E+04 REV/ 3.445E+07 1.97 4.127E+04 / !R4776 C7H14-1+H<=>C7H131-3+H2 3.376E+05 2.36 2.070E+02 REV/ 4.393E+06 2.10 2.062E+04 / !R4777 C7H14-1+H<=>C7H131-4+H2 1.300E+06 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / !R4778 C7H14-1+H<=>C7H131-5+H2 1.300E+06 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / !R4779 C7H14-1+H<=>C7H131-6+H2 1.300E+06 2.40 4.471E+03 REV/ 3.834E+03 2.74 1.154E+04 / !R4780 C7H14-1+H<=>C7H131-7+H2 6.650E+05 2.54 6.756E+03 REV/ 3.056E+04 2.54 1.132E+04 / !R4781 C7H14-1+OH<=>C7H131-3+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.557E+06 2.38 3.365E+04 / !R4782 C7H14-1+OH<=>C7H131-4+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / !R4783 C7H14-1+OH<=>C7H131-5+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / !R4784 C7H14-1+OH<=>C7H131-6+H2O 4.670E+07 1.61 -3.500E+01 REV/ 5.963E+05 1.95 2.219E+04 / !R4785 C7H14-1+OH<=>C7H131-7+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.049E+09 0.97 2.130E+04 / !R4786 C7H14-1+CH3<=>C7H131-3+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.254E+03 3.05 2.489E+04 / !R4787 C7H14-1+CH3<=>C7H131-4+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / !R4788 C7H14-1+CH3<=>C7H131-5+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / !R4789 C7H14-1+CH3<=>C7H131-6+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.163E-01 3.80 1.303E+04 / !R4790 C7H14-1+CH3<=>C7H131-7+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.427E-01 3.65 1.219E+04 / !R4791 C7H14-1+HO2<=>C7H131-3+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.612E+06 1.96 1.463E+04 / !R4792 C7H14-1+HO2<=>C7H131-4+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / !R4793 C7H14-1+HO2<=>C7H131-5+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / !R4794 C7H14-1+HO2<=>C7H131-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.307E+02 2.62 4.672E+03 / !R4795 C7H14-1+HO2<=>C7H131-7+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.811E+04 2.22 4.746E+03 / !R4796 C7H14-1+CH3O2<=>C7H131-3+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.357E+06 1.79 1.161E+04 / !R4797 C7H14-1+CH3O2<=>C7H131-4+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / !R4798 C7H14-1+CH3O2<=>C7H131-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / !R4799 C7H14-1+CH3O2<=>C7H131-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.521E+03 2.44 1.652E+03 / !R4800 C7H14-1+CH3O2<=>C7H131-7+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 5.853E+04 2.04 1.726E+03 / !R4801 C7H14-1+CH3O<=>C7H131-3+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.510E+02 2.66 2.729E+04 / !R4802 C7H14-1+CH3O<=>C7H131-4+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / !R4803 C7H14-1+CH3O<=>C7H131-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / !R4804 C7H14-1+CH3O<=>C7H131-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.062E+08 0.37 9.911E+03 / !R4805 C7H14-1+CH3O<=>C7H131-7+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.808E+09 0.02 9.288E+03 / !R4806 C7H14-2+H<=>C7H131-3+H2 1.730E+05 2.50 2.492E+03 REV/ 4.561E+06 2.06 2.003E+04 / !R4807 C7H14-2+H<=>C7H132-4+H2 3.376E+05 2.36 2.070E+02 REV/ 4.400E+06 2.10 2.059E+04 / !R4808 C7H14-2+H<=>C7H132-5+H2 1.300E+06 2.40 4.471E+03 REV/ 3.843E+03 2.74 1.152E+04 / !R4809 C7H14-2+H<=>C7H132-6+H2 1.300E+06 2.40 4.471E+03 REV/ 3.843E+03 2.74 1.152E+04 / !R4810 C7H14-2+H<=>C7H132-7+H2 6.651E+05 2.54 6.756E+03 REV/ 3.149E+04 2.53 1.130E+04 / !R4811 C7H14-2+OH<=>C7H131-3+H2O 3.120E+06 2.00 -2.980E+02 REV/ 3.561E+08 1.56 3.240E+04 / !R4812 C7H14-2+OH<=>C7H132-4+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.560E+06 2.38 3.362E+04 / !R4813 C7H14-2+OH<=>C7H132-5+H2O 4.670E+05 1.61 -3.500E+01 REV/ 5.978E+03 1.95 2.217E+04 / !R4814 C7H14-2+OH<=>C7H132-6+H2O 4.670E+05 1.61 -3.500E+01 REV/ 5.978E+03 1.95 2.217E+04 / !R4815 C7H14-2+OH<=>C7H132-7+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.080E+09 0.96 2.128E+04 / !R4816 C7H14-2+CH3<=>C7H131-3+CH4 2.210E+00 3.50 5.675E+03 REV/ 1.522E+03 3.06 2.370E+04 / !R4817 C7H14-2+CH3<=>C7H132-4+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.256E+03 3.05 2.486E+04 / !R4818 C7H14-2+CH3<=>C7H132-5+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.166E-01 3.80 1.301E+04 / !R4819 C7H14-2+CH3<=>C7H132-6+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.166E-01 3.80 1.301E+04 / !R4820 C7H14-2+CH3<=>C7H132-7+CH4 4.521E-01 3.65 7.154E+03 REV/ 5.591E-01 3.64 1.217E+04 / !R4821 C7H14-2+HO2<=>C7H131-3+H2O2 9.639E+03 2.60 1.391E+04 REV/ 6.531E+06 1.84 1.514E+04 / !R4822 C7H14-2+HO2<=>C7H132-4+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.615E+06 1.96 1.460E+04 / !R4823 C7H14-2+HO2<=>C7H132-5+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.325E+02 2.62 4.652E+03 / !R4824 C7H14-2+HO2<=>C7H132-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.325E+02 2.62 4.652E+03 / !R4825 C7H14-2+HO2<=>C7H132-7+H2O2 2.380E+04 2.55 1.649E+04 REV/ 2.896E+04 2.21 4.726E+03 / !R4826 C7H14-2+CH3O2<=>C7H131-3+CH3O2H 9.639E+03 2.60 1.391E+04 REV/ 1.360E+07 1.66 1.212E+04 / !R4827 C7H14-2+CH3O2<=>C7H132-4+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.362E+06 1.79 1.158E+04 / !R4828 C7H14-2+CH3O2<=>C7H132-5+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.525E+03 2.44 1.632E+03 / !R4829 C7H14-2+CH3O2<=>C7H132-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.525E+03 2.44 1.632E+03 / !R4830 C7H14-2+CH3O2<=>C7H132-7+CH3O2H 2.380E+04 2.55 1.649E+04 REV/ 6.030E+04 2.04 1.706E+03 / !R4831 C7H14-2+CH3O<=>C7H131-3+CH3OH 9.000E+01 2.95 1.199E+04 REV/ 1.144E+03 2.54 2.780E+04 / !R4832 C7H14-2+CH3O<=>C7H132-4+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.513E+02 2.66 2.726E+04 / !R4833 C7H14-2+CH3O<=>C7H132-5+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.067E+08 0.37 9.891E+03 / !R4834 C7H14-2+CH3O<=>C7H132-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.067E+08 0.37 9.891E+03 / !R4835 C7H14-2+CH3O<=>C7H132-7+CH3OH 2.170E+11 0.00 6.458E+03 REV/ 4.953E+09 0.02 9.268E+03 / !R4836 C7H14-3+H<=>C7H133-1+H2 6.651E+05 2.54 6.756E+03 REV/ 3.097E+04 2.53 1.126E+04 / !R4837 C7H14-3+H<=>C7H132-4+H2 3.376E+05 2.36 2.070E+02 REV/ 3.276E+06 2.16 2.068E+04 / !R4838 C7H14-3+H<=>C7H133-5+H2 3.376E+05 2.36 2.070E+02 REV/ 4.380E+06 2.10 2.056E+04 / !R4839 C7H14-3+H<=>C7H133-6+H2 1.300E+06 2.40 4.471E+03 REV/ 3.916E+03 2.74 1.149E+04 / !R4840 C7H14-3+H<=>C7H133-7+H2 6.651E+05 2.54 6.756E+03 REV/ 3.097E+04 2.53 1.126E+04 / !R4841 C7H14-3+OH<=>C7H133-1+H2O 1.054E+10 0.97 1.586E+03 REV/ 2.125E+09 0.96 2.124E+04 / !R4842 C7H14-3+OH<=>C7H132-4+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.161E+06 2.44 3.371E+04 / !R4843 C7H14-3+OH<=>C7H133-5+H2O 2.764E+04 2.64 -1.919E+03 REV/ 1.552E+06 2.38 3.359E+04 / !R4844 C7H14-3+OH<=>C7H133-6+H2O 4.670E+07 1.61 -3.500E+01 REV/ 6.091E+05 1.95 2.214E+04 / !R4845 C7H14-3+OH<=>C7H133-7+H2O 1.054E+10 0.97 1.586E+03 REV/ 2.125E+09 0.96 2.124E+04 / !R4846 C7H14-3+CH3<=>C7H133-1+CH4 9.042E-01 3.65 7.154E+03 REV/ 1.100E+00 3.64 1.213E+04 / !R4847 C7H14-3+CH3<=>C7H132-4+CH4 3.690E+00 3.31 4.002E+03 REV/ 9.355E+02 3.11 2.495E+04 / !R4848 C7H14-3+CH3<=>C7H133-5+CH4 3.690E+00 3.31 4.002E+03 REV/ 1.251E+03 3.05 2.483E+04 / !R4849 C7H14-3+CH3<=>C7H133-6+CH4 1.510E+00 3.46 5.481E+03 REV/ 1.188E-01 3.80 1.298E+04 / !R4850 C7H14-3+CH3<=>C7H133-7+CH4 9.042E-01 3.65 7.154E+03 REV/ 1.100E+00 3.64 1.213E+04 / !R4851 C7H14-3+HO2<=>C7H133-1+H2O2 4.760E+04 2.55 1.649E+04 REV/ 5.697E+04 2.22 4.686E+03 / !R4852 C7H14-3+HO2<=>C7H132-4+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.202E+06 2.03 1.469E+04 / !R4853 C7H14-3+HO2<=>C7H133-5+H2O2 4.820E+03 2.55 1.053E+04 REV/ 1.607E+06 1.96 1.457E+04 / !R4854 C7H14-3+HO2<=>C7H133-6+H2O2 9.640E+03 2.60 1.391E+04 REV/ 7.464E+02 2.61 4.622E+03 / !R4855 C7H14-3+HO2<=>C7H133-7+H2O2 4.760E+04 2.55 1.649E+04 REV/ 5.697E+04 2.22 4.686E+03 / !R4856 C7H14-3+CH3O2<=>C7H133-1+CH3O2H 4.760E+04 2.55 1.649E+04 REV/ 1.186E+05 2.04 1.666E+03 / !R4857 C7H14-3+CH3O2<=>C7H132-4+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 2.503E+06 1.85 1.167E+04 / !R4858 C7H14-3+CH3O2<=>C7H133-5+CH3O2H 4.820E+03 2.55 1.053E+04 REV/ 3.346E+06 1.79 1.155E+04 / !R4859 C7H14-3+CH3O2<=>C7H133-6+CH3O2H 9.640E+03 2.60 1.391E+04 REV/ 1.554E+03 2.44 1.602E+03 / !R4860 C7H14-3+CH3O2<=>C7H133-7+CH3O2H 4.760E+04 2.55 1.649E+04 REV/ 1.186E+05 2.04 1.666E+03 / !R4861 C7H14-3+CH3O<=>C7H133-1+CH3OH 4.340E+11 0.00 6.458E+03 REV/ 9.743E+09 0.02 9.228E+03 / !R4862 C7H14-3+CH3O<=>C7H132-4+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 1.871E+02 2.73 2.735E+04 / !R4863 C7H14-3+CH3O<=>C7H133-5+CH3OH 4.000E+01 2.90 8.609E+03 REV/ 2.502E+02 2.66 2.723E+04 / !R4864 C7H14-3+CH3O<=>C7H133-6+CH3OH 1.450E+11 0.00 4.571E+03 REV/ 2.106E+08 0.37 9.861E+03 / !R4865 C7H14-3+CH3O<=>C7H133-7+CH3OH 4.340E+11 0.00 6.458E+03 REV/ 9.743E+09 0.02 9.228E+03 / !R4866 C7H131-3+HO2<=>C7H13O1-3+OH 9.640E+12 0.00 0.000E+00 REV/ 4.435E+15 -1.02 1.540E+04 / !R4867 C7H131-3+CH3O2<=>C7H13O1-3+CH3O 9.640E+12 0.00 0.000E+00 REV/ 4.332E+17 -1.60 2.016E+04 / !R4868 C7H131-3+C2H5O2<=>C7H13O1-3+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 2.836E+14 -0.68 1.800E+04 / !R4869 C7H131-3<=>C4H6+NC3H7 1.105E+19 -1.53 4.070E+04 REV/ 8.500E+10 0.00 8.300E+03 / !R4870 C7H131-4<=>C5H10-1+C2H3 2.492E+12 0.03 3.730E+04 REV/ 8.500E+10 0.00 8.300E+03 / !R4871 C7H131-4<=>C5H81-3+C2H5 2.289E+14 -0.68 2.205E+04 REV/ 8.500E+10 0.00 8.300E+03 / !R4872 C7H131-5<=>C4H8-1+C3H5-A 6.177E+15 -1.18 1.798E+04 REV/ 5.000E+10 0.00 8.300E+03 / !R4873 C7H131-6<=>C3H6+C4H71-4 1.238E+17 -1.17 3.074E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4874 C7H131-7<=>C2H4+C5H91-5 9.416E+17 -1.56 3.118E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4875 C7H132-4+HO2<=>C7H13O2-4+OH 9.640E+12 0.00 0.000E+00 REV/ 4.273E+15 -1.02 1.543E+04 / !R4876 C7H132-4+CH3O2<=>C7H13O2-4+CH3O 9.640E+12 0.00 0.000E+00 REV/ 4.173E+17 -1.59 2.019E+04 / !R4877 C7H132-4+C2H5O2<=>C7H13O2-4+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 2.732E+14 -0.67 1.803E+04 / !R4878 C7H132-5<=>C4H8-1+C3H5-S 9.419E+17 -1.49 4.426E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4879 C7H132-6<=>C3H6+C4H71-3 2.189E+14 -0.74 1.774E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4880 C7H132-7<=>C2H4+C5H92-5 9.786E+17 -1.57 3.116E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4881 C7H133-1<=>C2H4+C5H91-1 1.007E+17 -1.32 4.399E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4882 C7H133-5+HO2<=>C7H13O3-5+OH 9.640E+12 0.00 0.000E+00 REV/ 1.182E+15 -0.84 1.527E+04 / !R4883 C7H133-5+CH3O2<=>C7H13O3-5+CH3O 9.640E+12 0.00 0.000E+00 REV/ 1.155E+17 -1.42 2.003E+04 / !R4884 C7H133-5+C2H5O2<=>C7H13O3-5+C2H5O 9.640E+12 0.00 0.000E+00 REV/ 7.559E+13 -0.50 1.787E+04 / !R4885 C7H133-6<=>C3H6+C4H71-1 1.354E+16 -0.92 4.356E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4886 C7H133-7<=>C2H4+C5H91-3 2.274E+15 -1.20 1.805E+04 REV/ 1.000E+11 0.00 8.300E+03 / !R4887 C7H13O1-3<=>C2H3CHO+PC4H9 9.625E+19 -1.96 1.085E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4888 C7H13O1-3<=>NC4H9CHO+C2H3 1.026E+18 -1.51 2.330E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4889 C7H13O2-4<=>SC3H5CHO+NC3H7 6.319E+19 -1.93 1.113E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4890 C7H13O2-4<=>NC3H7CHO+C3H5-S 1.012E+22 -2.46 2.919E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4891 C7H13O3-5<=>C4H7CHO1-1+C2H5 6.033E+18 -1.62 1.045E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4892 C7H13O3-5<=>C2H5CHO+C4H71-1 6.425E+21 -2.43 3.009E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R4893 C7H14-1+OH<=>CH2O+C6H13-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4894 C7H14-1+OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4895 C7H14-2+OH<=>CH3CHO+C5H11-1 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4896 C7H14-2+OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4897 C7H14-3+OH<=>C2H5CHO+PC4H9 1.000E+11 0.00 -4.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4898 C7H14-1+O<=>CH2CHO+C5H11-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4899 C7H14-2+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4900 C7H14-3+O<=>CH3CHO+C5H10-1 1.000E+11 0.00 -1.050E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4901 C7H14-1<=>PC4H9+C3H5-A 3.170E+21 -1.62 7.533E+04 REV/ 1.000E+13 0.00 0.000E+00 / !R4902 C7H14-2<=>C4H71-3+NC3H7 3.735E+21 -1.74 7.571E+04 REV/ 1.000E+13 0.00 0.000E+00 / !R4903 C7H14-3<=>C5H91-3+C2H5 5.947E+21 -1.85 7.579E+04 REV/ 1.000E+13 0.00 0.000E+00 / !R4904 C7H15O2-1<=>C7H15-1+O2 2.657E+20 -1.67 3.540E+04 REV/ 4.520E+12 0.00 0.000E+00 / !R4905 C7H15O2-2<=>C7H15-2+O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R4906 C7H15O2-3<=>C7H15-3+O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R4907 C7H15O2-4<=>C7H15-4+O2 1.357E+23 -2.36 3.767E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R4908 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 / !R4909 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 / !R4910 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 / !R4911 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 / !R4912 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 / !R4913 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 / !R4914 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 / !R4915 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 / !R4916 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 / !R4917 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 / !R4918 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 / !R4919 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 / !R4920 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 / !R4921 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 / !R4922 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 / !R4923 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 / !R4924 C7H15-1+HO2<=>C7H15O-1+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.549E+15 -0.57 2.616E+04 / !R4925 C7H15-2+HO2<=>C7H15O-2+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / !R4926 C7H15-3+HO2<=>C7H15O-3+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / !R4927 C7H15-4+HO2<=>C7H15O-4+OH 7.000E+12 0.00 -1.000E+03 REV/ 3.081E+17 -1.15 2.807E+04 / !R4928 C7H15-1+CH3O2<=>C7H15O-1+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 2.220E+14 -0.28 3.040E+04 / !R4929 C7H15-2+CH3O2<=>C7H15O-2+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / !R4930 C7H15-3+CH3O2<=>C7H15O-3+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / !R4931 C7H15-4+CH3O2<=>C7H15O-4+CH3O 7.000E+12 0.00 -1.000E+03 REV/ 1.927E+16 -0.85 3.231E+04 / !R4932 C7H15O2-1<=>C7H14-1+HO2 10.044E+38 -8.11 4.149E+04 REV/ 9.291E+29 -6.22 2.086E+04 / !R4933 C7H15O2-2<=>C7H14-1+HO2 10.075E+42 -9.41 4.249E+04 REV/ 9.596E+32 -7.21 1.707E+04 / !R4934 C7H15O2-2<=>C7H14-2+HO2 10.044E+38 -8.11 4.149E+04 REV/ 4.708E+28 -5.74 1.894E+04 / !R4935 C7H15O2-3<=>C7H14-2+HO2 10.044E+38 -8.11 4.149E+04 REV/ 4.708E+28 -5.74 1.894E+04 / !R4936 C7H15O2-3<=>C7H14-3+HO2 10.044E+38 -8.11 4.149E+04 REV/ 6.323E+28 -5.80 1.885E+04 / !R4937 C7H15O2-4<=>C7H14-3+HO2 2.009E+39 -8.11 4.149E+04 REV/ 6.348E+28 -5.80 1.885E+04 / !R4938 C7H15O2-1<=>C7H14OOH1-2 2.000E+11 0.00 2.645E+04 !R4939 C7H15O2-1<=>C7H14OOH1-3 2.500E+10 0.00 2.045E+04 !R4940 C7H15O2-1<=>C7H14OOH1-4 3.125E+09 0.00 1.865E+04 !R4942 C7H15O2-2<=>C7H14OOH2-1 3.000E+11 0.00 2.900E+04 !R4943 C7H15O2-2<=>C7H14OOH2-3 2.000E+11 0.00 2.645E+04 !R4944 C7H15O2-2<=>C7H14OOH2-4 2.500E+10 0.00 2.045E+04 !R4945 C7H15O2-2<=>C7H14OOH2-5 3.125E+09 0.00 1.865E+04 !R4947 C7H15O2-3<=>C7H14OOH3-1 3.750E+10 0.00 2.400E+04 !R4948 C7H15O2-3<=>C7H14OOH3-2 2.000E+11 0.00 2.645E+04 !R4949 C7H15O2-3<=>C7H14OOH3-4 2.000E+11 0.00 2.645E+04 !R4950 C7H15O2-3<=>C7H14OOH3-5 2.500E+10 0.00 2.045E+04 !R4951 C7H15O2-3<=>C7H14OOH3-6 3.125E+09 0.00 1.865E+04 !R4953 C7H15O2-4<=>C7H14OOH4-1 9.376E+09 0.00 2.195E+04 !R4954 C7H15O2-4<=>C7H14OOH4-2 5.000E+10 0.00 2.045E+04 !R4955 C7H15O2-4<=>C7H14OOH4-3 4.000E+11 0.00 2.645E+04 !R4956 C7H15O2-1+HO2<=>C7H15O2H-1+O2 1.750E+10 0.00 -3.275E+03 REV/ 3.782E+13 -0.79 3.401E+04 / !R4957 C7H15O2-2+HO2<=>C7H15O2H-2+O2 1.750E+10 0.00 -3.275E+03 REV/ 4.496E+13 -0.82 3.404E+04 / !R4958 C7H15O2-3+HO2<=>C7H15O2H-3+O2 1.750E+10 0.00 -3.275E+03 REV/ 4.496E+13 -0.82 3.404E+04 / !R4959 C7H15O2-4+HO2<=>C7H15O2H-4+O2 1.750E+10 0.00 -3.275E+03 REV/ 4.497E+13 -0.82 3.404E+04 / !R4960 H2O2+C7H15O2-1<=>HO2+C7H15O2H-1 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / !R4961 H2O2+C7H15O2-2<=>HO2+C7H15O2H-2 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / !R4962 H2O2+C7H15O2-3<=>HO2+C7H15O2H-3 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / !R4963 H2O2+C7H15O2-4<=>HO2+C7H15O2H-4 2.400E+12 0.00 1.000E+04 REV/ 2.400E+12 0.00 1.000E+04 / !R4964 C7H15O2-1+CH3O2<=>C7H15O-1+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4965 C7H15O2-2+CH3O2<=>C7H15O-2+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4966 C7H15O2-3+CH3O2<=>C7H15O-3+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4967 C7H15O2-4+CH3O2<=>C7H15O-4+CH3O+O2 1.400E+16 -1.61 1.860E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4968 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 / !R4969 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 / !R4970 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 / !R4971 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 / !R4972 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 / !R4973 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 / !R4974 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 / !R4975 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 / !R4976 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 / !R4977 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 / !R4978 C7H15O2H-1<=>C7H15O-1+OH 1.000E+16 0.00 3.900E+04 REV/ 1.989E+07 1.93 -6.522E+03 / !R4979 C7H15O2H-2<=>C7H15O-2+OH 1.000E+16 0.00 3.900E+04 REV/ 9.517E+06 2.03 -6.922E+03 / !R4980 C7H15O2H-3<=>C7H15O-3+OH 1.000E+16 0.00 3.900E+04 REV/ 9.517E+06 2.03 -6.922E+03 / !R4981 C7H15O2H-4<=>C7H15O-4+OH 1.000E+16 0.00 3.900E+04 REV/ 9.516E+06 2.03 -6.922E+03 / !R4982 C7H15O-1<=>CH2O+C6H13-1 6.023E+20 -2.18 2.483E+04 REV/ 1.000E+11 0.00 1.190E+04 / !R4983 C7H15O-2<=>CH3CHO+C5H11-1 1.475E+22 -2.55 2.037E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4984 C7H15O-3<=>C2H5CHO+PC4H9 6.573E+17 -1.16 1.937E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4985 C7H15O-4<=>NC3H7CHO+NC3H7 4.769E+22 -2.58 2.182E+04 REV/ 1.000E+11 0.00 1.290E+04 / !R4986 C7H14-1+HO2=C7H14OOH1-2 2.50E+03 2.500 1.12E+04 !!!!!BOZZELLI MM !R4987 C7H14-1+HO2=C7H14OOH2-1 2.70E+03 2.500 1.05E+04 !R4988 C7H14-2+HO2=C7H14OOH2-3 2.70E+03 2.500 1.05E+04 !R4989 C7H14-2+HO2=C7H14OOH3-2 2.70E+03 2.500 1.05E+04 !R4990 C7H14-3+HO2=C7H14OOH3-4 2.70E+03 2.500 1.05E+04 !R4991 C7H14-3+HO2=C7H14OOH4-3 2.70E+03 2.500 1.05E+04 !R4993 C7H14OOH1-3<=>C7H14O1-3+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4994 C7H14OOH1-4<=>C7H14O1-4+OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R4998 C7H14OOH2-4<=>C7H14O2-4+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R4999 C7H14OOH2-5<=>C7H14O2-5+OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R5001 C7H14OOH3-1<=>C7H14O1-3+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5004 C7H14OOH3-5<=>C7H14O3-5+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5005 C7H14OOH3-6<=>C7H14O2-5+OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R5007 C7H14OOH4-1<=>C7H14O1-4+OH 9.375E+09 0.00 7.000E+03 REV/ 0.000E+00 0.00 0.000E+00 / !R5008 C7H14OOH4-2<=>C7H14O2-4+OH 7.500E+10 0.00 1.525E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5010 C7H14OOH1-3<=>OH+CH2O+C6H12-1 2.147E+09 1.23 3.037E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5011 C7H14OOH2-4<=>OH+CH3CHO+C5H10-1 1.548E+12 0.59 3.009E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5012 C7H14OOH3-1<=>OH+NC4H9CHO+C2H4 8.182E+13 -0.13 3.133E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5013 C7H14OOH3-5<=>OH+C2H5CHO+C4H8-1 2.661E+13 0.13 3.043E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5014 C7H14OOH4-2<=>OH+NC3H7CHO+C3H6 6.186E+13 0.09 3.084E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5015 C7H14OOH1-3<=>C4H7OOH1-4+NC3H7 1.609E+12 0.54 2.774E+04 REV/ 2.200E+03 2.48 6.130E+03 / !R5016 C7H14OOH1-4<=>C5H10-1+C2H4+HO2 1.446E+11 0.69 3.082E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5017 C7H14OOH1-4<=>C5H9OOH1-5+C2H5 1.721E+12 0.51 2.790E+04 REV/ 2.200E+03 2.48 6.130E+03 / !R5018 C7H14OOH2-4<=>C5H9OOH1-4+C2H5 4.080E+12 0.32 2.923E+04 REV/ 2.200E+03 2.48 6.130E+03 / !R5019 C7H14OOH2-5<=>C4H8-1+C3H6OOH2-1 6.856E+13 0.03 3.138E+04 REV/ 2.200E+03 2.48 6.130E+03 / !R5021 C7H14OOH3-5<=>C6H11OOH1-4+CH3 7.417E+10 0.75 3.026E+04 REV/ 2.200E+03 2.48 6.130E+03 / !R5024 C7H14OOH1-2O2<=>C7H14OOH1-2+O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5025 C7H14OOH1-3O2<=>C7H14OOH1-3+O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5026 C7H14OOH1-4O2<=>C7H14OOH1-4+O2 1.367E+23 -2.37 3.764E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5028 C7H14OOH2-1O2<=>C7H14OOH2-1+O2 3.323E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / !R5029 C7H14OOH2-3O2<=>C7H14OOH2-3+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5030 C7H14OOH2-4O2<=>C7H14OOH2-4+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5031 C7H14OOH2-5O2<=>C7H14OOH2-5+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5033 C7H14OOH3-1O2<=>C7H14OOH3-1+O2 3.323E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / !R5034 C7H14OOH3-2O2<=>C7H14OOH3-2+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5035 C7H14OOH3-4O2<=>C7H14OOH3-4+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5036 C7H14OOH3-5O2<=>C7H14OOH3-5+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5037 C7H14OOH3-6O2<=>C7H14OOH3-6+O2 1.389E+23 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5039 C7H14OOH4-1O2<=>C7H14OOH4-1+O2 1.668E+20 -1.65 3.528E+04 REV/ 4.520E+12 0.00 0.000E+00 / !R5040 C7H14OOH4-2O2<=>C7H14OOH4-2+O2 6.969E+22 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5041 C7H14OOH4-3O2<=>C7H14OOH4-3+O2 6.969E+22 -2.38 3.760E+04 REV/ 7.540E+12 0.00 0.000E+00 / !R5042 C7H14OOH1-2O2<=>NC7KET12+OH 2.000E+11 0.00 2.600E+04 !R5043 C7H14OOH1-3O2<=>NC7KET13+OH 2.500E+10 0.00 2.100E+04 !R5044 C7H14OOH1-4O2<=>NC7KET14+OH 3.125E+09 0.00 1.895E+04 !R5046 C7H14OOH2-1O2<=>NC7KET21+OH 1.000E+11 0.00 2.345E+04 !R5047 C7H14OOH2-3O2<=>NC7KET23+OH 1.000E+11 0.00 2.345E+04 !R5048 C7H14OOH2-4O2<=>NC7KET24+OH 1.250E+10 0.00 1.745E+04 !R5049 C7H14OOH2-5O2<=>NC7KET25+OH 1.563E+09 0.00 1.565E+04 !R5051 C7H14OOH3-1O2<=>NC7KET31+OH 1.250E+10 0.00 1.745E+04 !R5052 C7H14OOH3-2O2<=>NC7KET32+OH 1.000E+11 0.00 2.345E+04 !R5053 C7H14OOH3-4O2<=>NC7KET34+OH 1.000E+11 0.00 2.345E+04 !R5054 C7H14OOH3-5O2<=>NC7KET35+OH 1.250E+10 0.00 1.745E+04 !R5055 C7H14OOH3-6O2<=>NC7KET36+OH 1.563E+09 0.00 1.565E+04 !R5057 C7H14OOH4-1O2<=>NC7KET41+OH 1.563E+09 0.00 1.565E+04 !R5058 C7H14OOH4-2O2<=>NC7KET42+OH 1.250E+10 0.00 1.745E+04 !R5059 C7H14OOH4-3O2<=>NC7KET43+OH 1.000E+11 0.00 2.345E+04 !R5060 NC7KET12<=>NC5H11CHO+HCO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5061 NC7KET13<=>NC4H9CHO+CH2CHO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5062 NC7KET14<=>NC3H7CHO+CH2CH2CHO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5064 NC7KET21<=>CH2O+NC5H11CO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5065 NC7KET23<=>NC4H9CHO+CH3CO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5066 NC7KET24<=>NC3H7CHO+CH3COCH2+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5067 NC7KET25<=>C2H5CHO+CH2CH2COCH3+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5069 NC7KET31<=>CH2O+NC4H9COCH2+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5070 NC7KET32<=>CH3CHO+NC4H9CO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5071 NC7KET34<=>NC3H7CHO+C2H5CO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5072 NC7KET35<=>C2H5CHO+C2H5COCH2+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5073 NC7KET36<=>CH3CHO+C2H5COC2H4P+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5075 NC7KET41<=>CH2O+NC3H7COC2H4P+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5076 NC7KET42<=>CH3CHO+NC3H7COCH2+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5077 NC7KET43<=>C2H5CHO+NC3H7CO+OH 1.000E+16 0.00 3.900E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5079 C7H14O1-3+OH<=>C6H12-1+HCO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5080 C7H14O1-4+OH<=>C5H10-1+CH2CHO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5083 C7H14O2-4+OH<=>CH3CO+C5H10-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5084 C7H14O2-5+OH<=>CH3COCH2+C4H8-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5087 C7H14O3-5+OH<=>C2H5CO+C4H8-1+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5089 C7H14O1-3+OH<=>C2H4+NC4H9CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5090 C7H14O1-4+OH<=>C2H4+NC3H7COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5093 C7H14O2-4+OH<=>C3H6+NC3H7CO+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5094 C7H14O2-5+OH<=>C3H6+C2H5COCH2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5097 C7H14O3-5+OH<=>C2H5CHO+C4H71-2+H2O 2.500E+12 0.00 0.000E+00 REV/ 0.000E+00 0.00 0.000E+00 / !R5099 C7H14O1-3+HO2<=>C6H12-1+HCO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5100 C7H14O1-4+HO2<=>C5H10-1+CH2CHO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5103 C7H14O2-4+HO2<=>CH3CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5104 C7H14O2-5+HO2<=>CH3COCH2+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5107 C7H14O3-5+HO2<=>C2H5CO+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5109 C7H14O1-3+HO2<=>C2H4+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5110 C7H14O1-4+HO2<=>C2H4+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5113 C7H14O2-4+HO2<=>C3H6+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5114 C7H14O2-5+HO2<=>C3H6+C2H5COCH2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5117 C7H14O3-5+HO2<=>C2H5CHO+C4H71-2+H2O2 5.000E+12 0.00 1.770E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5118 C7H14OH-1<=>C7H14-1+OH 5.430E+14 -0.53 2.783E+04 REV/ 1.000E+12 0.00 -1.042E+03 / !R5119 O2C7H14OH-1<=>C7H14OH-1+O2 2.983E+21 -1.98 3.782E+04 REV/ 2.000E+12 0.00 0.000E+00 / !R5120 O2C7H14OH-1<=>NC5H11CHO+CH2O+OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5121 C7H14OH-2<=>C7H14-2+OH 1.044E+16 -1.00 2.940E+04 REV/ 1.000E+12 0.00 -1.042E+03 / !R5122 O2C7H14OH-2<=>C7H14OH-2+O2 4.775E+21 -2.06 3.786E+04 REV/ 2.000E+12 0.00 0.000E+00 / !R5123 O2C7H14OH-1<=>NC4H9CHO+CH3CHO+OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5124 C7H14OH-3<=>C7H14-3+OH 7.773E+15 -0.93 2.949E+04 REV/ 1.000E+12 0.00 -1.042E+03 / !R5125 O2C7H14OH-3<=>C7H14OH-3+O2 4.775E+21 -2.06 3.786E+04 REV/ 2.000E+12 0.00 0.000E+00 / !R5126 O2C7H14OH-3<=>NC3H7CHO+C2H5CHO+OH 2.500E+10 0.00 1.886E+04 REV/ 0.000E+00 0.00 0.000E+00 / !R5127 NC5H11CHO+O2<=>NC5H11CO+HO2 2.000E+13 0.50 4.220E+04 REV/ 1.000E+07 0.00 4.000E+04 / !R5128 NC5H11CHO+OH<=>NC5H11CO+H2O 2.690E+10 0.76 -3.400E+02 REV/ 1.740E+10 0.76 3.120E+04 / !R5129 NC5H11CHO+H<=>NC5H11CO+H2 4.000E+13 0.00 4.200E+03 REV/ 1.800E+13 0.00 2.400E+04 / !R5130 NC5H11CHO+O<=>NC5H11CO+OH 5.000E+12 0.00 1.790E+03 REV/ 1.000E+12 0.00 1.900E+04 / !R5131 NC5H11CHO+HO2<=>NC5H11CO+H2O2 2.800E+12 0.00 1.360E+04 REV/ 1.000E+12 0.00 1.000E+04 / !R5132 NC5H11CHO+CH3<=>NC5H11CO+CH4 1.700E+12 0.00 8.440E+03 REV/ 1.500E+13 0.00 2.800E+04 / !R5133 NC5H11CHO+CH3O<=>NC5H11CO+CH3OH 1.150E+11 0.00 1.280E+03 REV/ 3.000E+11 0.00 1.800E+04 / !R5134 NC5H11CHO+CH3O2<=>NC5H11CO+CH3O2H 1.000E+12 0.00 9.500E+03 REV/ 2.500E+10 0.00 1.000E+04 / !R5140 NC5H11CO<=>C5H11-1+CO 1.000E+11 0.00 9.600E+03 REV/ 1.000E+11 0.00 0.000E+00 / !R5190 NC4H9COCH2<=>PC4H9+CH2CO 1.554E+18 -1.41 4.314E+04 REV/ 1.000E+11 0.00 1.160E+04 / !R5191 C4H7OOH1-4<=>C4H7O1-4+OH 2.021E+20 -1.53 4.704E+04 REV/ 2.000E+13 0.00 0.000E+00 / !R5192 C5H9OOH1-4<=>C5H9O1-4+OH 1.178E+20 -1.38 4.605E+04 REV/ 2.000E+13 0.00 0.000E+00 / !R5193 C5H9OOH1-5<=>C5H9O1-5+OH 1.594E+20 -1.50 4.699E+04 REV/ 2.000E+13 0.00 0.000E+00 / !R5194 C6H11OOH1-4<=>C6H11O1-4+OH 1.234E+20 -1.39 4.605E+04 REV/ 2.000E+13 0.00 0.000E+00 / !R5196 C4H7O1-4<=>CH2O+C3H5-A 2.412E+16 -1.14 7.550E+03 REV/ 1.000E+11 0.00 1.190E+04 / !R5197 C5H9O1-4<=>CH3CHO+C3H5-A 7.715E+20 -2.43 5.890E+03 REV/ 5.000E+10 0.00 9.600E+03 / !R5199 C5H9O1-5<=>CH2O+C4H71-4 4.310E+17 -1.33 1.794E+04 REV/ 1.000E+11 0.00 9.600E+03 / !R5201 C6H11O1-4<=>C2H5CHO+C3H5-A 1.211E+21 -2.46 5.641E+03 REV/ 5.000E+10 0.00 9.600E+03 / !R5204 C5H91-1<=>C2H2+NC3H7 2.755E+15 -0.67 3.080E+04 REV/ 2.000E+11 0.00 7.800E+03 / !R5205 C4H7CHO1-1+OH<=>C4H7CO1-1+H2O 3.370E+12 0.00 -6.160E+02 REV/ 5.203E+12 0.03 3.680E+04 / !R5206 C4H7CHO1-1+OH<=>C4H6CHO1-14+H2O 5.270E+09 0.97 1.586E+03 REV/ 1.067E+09 0.96 2.102E+04 / !R5207 C4H7CHO1-1+OH<=>C4H6CHO1-13+H2O 3.120E+06 2.00 -2.980E+02 REV/ 1.251E+08 1.79 3.493E+04 / !R5208 C4H7CHO1-1+OH<=>C2H5CHO+CH2CHO 1.000E+11 0.00 0.000E+00 REV/ 1.076E+07 1.10 1.702E+04 / !R5209 C4H7CHO1-1+HO2<=>C4H7CO1-1+H2O2 1.000E+12 0.00 1.192E+04 REV/ 9.165E+12 -0.30 1.787E+04 / !R5210 C4H7CHO1-1+HO2<=>C4H6CHO1-14+H2O2 2.760E+04 2.55 1.648E+04 REV/ 3.317E+04 2.22 4.452E+03 / !R5211 C4H7CHO1-1+HO2<=>C4H6CHO1-13+H2O2 9.640E+03 2.60 1.391E+04 REV/ 2.295E+06 2.06 1.768E+04 / !R5212 C4H7CHO1-1+CH3O2<=>C4H7CO1-1+CH3O2H 2.800E+12 0.00 1.360E+04 REV/ 1.055E+14 -0.47 1.883E+04 / !R5213 C4H7CHO1-1+CH3O2<=>C4H6CHO1-14+CH3O2H 6.030E+12 0.00 1.938E+04 REV/ 2.978E+13 -0.51 6.627E+03 / !R5214 C4H7CHO1-1+CH3O2<=>C4H6CHO1-13+CH3O2H 1.990E+12 0.00 1.705E+04 REV/ 1.947E+15 -0.72 2.010E+04 / !R5215 C4H7CO1-1<=>C4H71-1+CO 8.510E+20 -2.12 4.032E+04 REV/ 1.500E+11 0.00 4.810E+03 / !R5216 C4H6CHO1-14<=>C2H4+CHCHCHO 9.050E+16 -1.33 4.687E+04 REV/ 8.000E+10 0.00 1.140E+04 / !R5217 C4H6CHO1-13<=>C4H6+HCO 8.954E+17 -1.28 4.623E+04 REV/ 8.000E+10 0.00 1.140E+04 / !R5236 NC3H7COC2H4P<=>NC3H7CO+C2H4 5.398E+17 -1.45 2.604E+04 REV/ 2.500E+11 0.00 7.800E+03 / !R5238 CHCHCHO+OH<=>CH2CHO+HCO 1.000E+12 0.00 0.000E+00 REV/ 2.719E+11 0.29 3.620E+04 / !R5239 CY13PD=CY13PD5J+H 1.00E+15 0.0 78000.0 !NIST !R5240 CY13PD+O2=CY13PD5J+HO2 5.00E+12 0.0 37150.0 ! !R5241 CY13PD+H=CYC5H7U1 4.0E+12 0.0 0.0 !R5243 CY13PD+CH3=CH3CY24PD+H 8.11E+00 3.182 9382.99 ! WJP: based on reverse rate from thermo of C6H5CH3+H<=>C6H6+CH3 !R5244 CY13PD+O=C4H6+CO 1.02E+14 -0.34 4674.0 !R5245 CY13PD+H=H2+CY13PD5J 1.60E+06 2.4 4471.0 !PITZ2001 !R5246 CY13PD+O=CY13PD5J+OH 6.03E+10 0.7 7633.0 !PITZ2001 !R5247 CY13PD+OH=CY13PD5J+H2O 4.12E+06 2.00 -298.0 !PITZ2001 !R5248 CY13PD+HO2=CY13PD5J+H2O2 4.00E+12 0.0 15900.0 !PITZ2001 !R5249 CY13PD+HCO=CY13PD5J+CH2O 7.20E+06 1.9 17010.0 !PITZ2001 !R5250 CY13PD+CH3=CH4+CY13PD5J 1.80E-01 4.0 0.0 !PITZ2001 !R5251 CY13PD+C2H3=CY13PD5J+C2H4 1.20E-01 4.0 0.0 !PITZ2001 !R5252 CY13PD+C3H5-A=C3H6+CY13PD5J 6.00E+12 0.0 15000.0 !PITZ2001 !R5253 CY13PD+C3H3=CY13PD5J+C3H4-A 6.00E+12 0.000 12000.0 !MM !R5254 CY13PD+C3H3=CY13PD5J+C3H4-P 6.00E+12 0.000 12000.0 !MM !R5255 CY13PD+NC4H5=C4H6+CY13PD5J 3.00E+12 0.0 5000.0 !MM !R5256 CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH 1.00E+12 0.0 6000.0 !MM !R5257 CY13PD+C6H5=C6H6+CY13PD5J 6.00E+12 0.0 6000.0 !MM !R5258 CY13PD+C6H5OJ=CY13PD5J+C6H5OH 8.00E+12 0.000 10000.0 !MM !R5259 CY13PD+H=CJCXCC#C+H2 8.040E+05 2.500 1.228E+04 !R5260 CJCXCC#C+HO2=OH+CO+NC4H5 8.000E+12 0.00 0.00 !R5261 CY13PD+C2H3=C6H6+CH3 2.12E+67 -16.08 42640.0 !PITZ2001 !R5262 CY13PD5J+CH3=CH3CY24PD 2.00E13 0.0 5000.00 !R5263 CH3CY24PD=>C6H6+H2 1.0E14 0.00 56000.0 !Molecular elimination !R5265 CY13PD5J+CY13PD5J=C10H10 2.00E+12 0.0 8000.0 !!!MM 1.84E+150 -40.75 67789.0 !PITZ2001 ! !R5266 CY13PD5J+CY13PD5J=BICPDJ+H 2.00E+12 0.0 8000.0 ! 2001LIN/MAU409-432 !R5267 CY13PD+CY13PD5J=IND+CH3 2.00E+12 0.00 19000.0 !R5268 CY13PD+CY13PD5J=C10H10+H 3.22E+15 -1.37 16710.0 !R5269 CY13PD+NC4H5=CR3+H 2.168E+12 0.0 5007.1 !TSANG1991 !R5270 CY13PD5J=CJCXCC#C 2.0E+13 0.00 77000.0 ! ! 2000MOS/LIN415-425! FREQ_FAC2 !R5271 CJCXCC#C=>C3H3+C2H2 1.00E+13 0.00 38000.0 !MM 1.00E+12 0.0 31000.0 !ALZUETA19982000 !R5272 C3H3+CH3=C4H6 1.00E+14 0.0 0.0 !R5273 CY13PD5J+C2H3CHO=C2H3CO+CY13PD 1.00E+13 0.0 8843.0 !PITZ2001 !R5274 CY13PD5J+HO2=CYC5H5OJ+OH 8.00E+12 0.0 0.0000 !MM () !R5275 CY13PD5J+HO2=CPDOOH 1.99E+68 -17.17 19570.0 !PITZ2001 !R5276 CY13PD5J+O2=OXCCXCCJCXO 2.11E+17 -2.25 8390.0 !PITZ2001 !R5277 HCO+CXCCXCXO=OXCCXCCJCXO 4.00E+11 0.0 4100.0 !R5278 CY13PD5J+OH=CYC5H5OH 1.24E+14 -0.57 0.0 !PITZ2001 !R5279 CY13PD5J+C2H3=CPDCXC 4.82E+13 0.0 0.0 !PITZ2001 !R5280 CH3CY24PD+OH=H2O+CH2CY24PD 1.63E+08 1.42 1451.0 !MM TEST !R5281 CH3CY24PD+CH3=CH4+CPDJCH3 2.50E+11 0.0 5000.0 !PITZ2001 (The position of the radical site changes continuosly) !R5282 CH3CY24PD+CH3=CH4+CH2CY24PD 2.50E+11 0.0 6000.0 !PITZ2001 (The position of the radical site changes continuosly) !R5283 CH3CY24PD+H=H2+CH2CY24PD 1.20E+14 0.0 8000.0 !PITZ2001 !R5284 H+FULVENE=CH2CY24PD 6.250E+11 0.510 2.620E+03 !WJP: analogy to H+iC4H8=iC4H9 from Curran IJCK 2004 !R5285 CH3CY24PD+OH=H2O+CPDJCH3 1.63E+08 1.42 1451.0 !MM TEST !R5286 CPDJCH3=H+C6H6 1.00E+14 0.0 30000.0 !MM TEST !R5287 CY13PD5J+C3H6=CPDCXC+CH3 1.49E+11 -0.06 29790.0 !PITZ2001 !R5288 CY13PD5J+C3H4-P=STYR+H 1.49E+11 -0.06 29790.0 !MM !R5289 CY13PD5J+C3H4-A=STYR+H 1.49E+11 -0.06 29790.0 !R5290 CY13PD5J+C3H3=STYR 2.00E13 0.0 7000.00 !R5291 CYC6H7=C6H6+H 3.00E+13 0.0 28400.0 !MM 1985DEA4600-4608 !R5292 CYC6H7+H=C4H6+C2H2 6.50E+13 0.0 0.0 !PITZ2001 !R5293 CYC6H7=LINC6H7 3.00E+13 0.0 46400.0 !PITZ2001 !R5294 LINC6H7=NC4H5+C2H2 5.50E+14 0.0 41000.0 !PITZ2001 !R5295 CY13PD5J+O=NC4H5+CO 2.0E+14 0.00 0.0 ! !!!1.51E+14 -0.29 350.0 ! !R5296 CY13PD5J+O=CYC5H5OJ 3.20E-08 4.71 -12990.0 !PITZ2001 !R5305 BICPDJ=NAPH+H 1.00E+14 0.0 40000.0 !PITZ2001 3.00E+11 0.0 20000.0 !!!! !R5306 BICPDJ+O2=NAPH+HO2 3.00E+11 0.0 20000.0 !PITZ2001 !R5307 CXCCXCC+H=C4H6+CH3 5.20E+71 -16.38 51060.0 !PITZ2001 !R5308 CXCCXCC+H=CXCCXCCJ+H2 7.00E+06 2.00 5000.0 !ALZUETA19982000 !R5309 CXCCXCC+OH=CXCCXCCJ+H2O 7.00E+06 2.00 0.0 !ALZUETA19982000 !R5313 CXCCXCCJ+H=CXCCXCC 2.33E+20 -1.6 3020.0 !PITZ2001 !R5314 CXCCXCCJ+H=NC4H5+CH3 2.91E+26 -2.18 36770.0 !PITZ2001 !R5316 CXCCXCCJ+O=C2H3CHO+C2H3 2.00E+14 0.0 0.0 !ALZUETA19982000 !R5317 CXCCXCCJ+HO2=C2H3CHO+C2H3+OH 8.00E+12 0.0 0.0 ! !R5318 CPDOOH=CYC5H5OJ+OH 2.00E+16 0.00 43000.0 !WJP: reaction rate rule for rooh=ro+oh !R5319 CYPDONE+H=CO+NC4H5 2.13E+61 -13.27 40810.0 !PITZ2001 !R5320 CYPDONE+H=OXCJCXCCXC 1.60E+65 -14.94 36980.0 !PITZ2001 !R5321 CYPDONE+O=CJXCCXCXO+HCO 1.0E+13 0.0 2000.0 !PITZ2001 !R5322 CYPDONE+OH=C3H4-A+HCO+CO 1.0E+13 0.0 0000.0 !R5323 CYPDONE+OH=H2O+CPDJONE 5.30E+07 1.42 1451.0 !PITZ2001 !R5324 CYPDONE+O=CPDJONE+OH 1.40E+13 0.0 14700.0 !PITZ2001 !R5325 CYPDONE=C2H2+C2H2+CO 5.70E+32 -6.76 68500.0 !PITZ2001 !R5326 CPDJONE+O2=CO2+CJXCCXCXO 9.67E+58 -13.47 38180.0 !PITZ2001 !R5327 CPDJONE=>C2H2+CO+C2H 2.00E+13 0.0 51000.0 !PITZ2001 !R5328 C4H6+OH=NC4H5+H2O 3.600E+06 2.00 2.500E+03 !MM VINYLIC 8.43E+12 0.0 -874.0 !PITZ2001 !R5329 C4H6+O2<=>NC4H5+HO2 4.00E+13 0.00 5.820E+04 !MM similar to c2h3+ho2 !R5330 NC4H5+C2H4=C4H6+C2H3 6.31E+11 0.00 7800.0 !PITZ2001 !R5331 NC4H5+H2=H+C4H6 3.90E+09 0.50 3704.0 !PITZ2001 !R5332 NC4H5+CH2O=C4H6+HCO 5.42E+03 2.81 5860.0 !MM !R5333 NC4H5+H=C4H6 1.13E+45 -9.05 15830.0 !PITZ2001 !R5334 NC4H5+H=C2H3+C2H3 3.91E+46 -8.66 32250.0 !PITZ2001 !R5335 NC4H5=C2H2+C2H3 1.00E+14 0.0 38000.0 !MM !R5336 NC4H5+O2=C2H3CHO+HCO 3.32E+24 -3.67 6190.0 !PITZ2001 !R5337 NC4H5+C2H2=C6H6+H 1.39E+16 -1.00 8900.0 !2007SEN/MIL3740-3747 !R5338 C10H10+H=NC4H5+C6H6 2.0E14 0.0 0.000 ! !R5339 C2H3+C4H4=C6H6+H 1.39E+16 -1.00 8900.0 !R5340 NC4H5=C4H4+H 1.00E+14 0.0 40000.0 !MM (????) !R5341 C4H4+O=HCCO+C2H3 1.00E+13 0.0 0.0 !PITZ2001 !R5342 C4H4+OH=CH2CO+C2H3 3.00E+13 0.0 0.0 !MM !R5343 C4H4+C2H2=C6H6 4.47E+11 0.0 3.00E+04 !1986CHA/HEI701 !R5348 C2H2+HCCO=CJXCCXCXO 3.16E+11 0.0 6000.0 !PITZ2001 !R5350 OXCCXCCXCJ=C2H2+CJXCCXO 3.00E+13 0.0 43710.0 !PITZ2001 !R5351 OXCCXCCXCJ=OXCJCXCCXC 1.25E+10 0.00 2.085E+04 !ANALOGy with NC7 !!MM !R5352 OXCCXCCXCJ+O2=OXCCXCCXO+HCO 5.42E+12 0.0 0.0 !PITZ2001 !R5354 OXCCXCCJCXO+O2=OXCCXCCXO+OCHO 1.62E+09 -0.03 18800.0 !PITZ2001 !R5356 OXCJCXCCXC=NC4H5+CO 3.47E12 0.63 27210.0 !2008HUY/VIO94-101 !R5357 OXCCXCCXO+H=OXCCXCCJXO+H2 2.64E+13 0.00 3300.0 !PITZ2001 !R5358 OXCCXCCXO+O=OXCCXCCJXO+OH 1.19E+13 0.00 1868.0 !PITZ2001 !R5359 OXCCXCCXO+OH=OXCCXCCJXO+H2O 1.85E+07 1.5 -960.0 !PITZ2001 !R5360 OXCCXCCXO+CH3=OXCCXCCJXO+CH4 5.22E+06 1.78 5911.0 !PITZ2001 !R5361 OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 6.02E+12 0.00 11930.0 !PITZ2001 !R5362 OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H 6.02E+12 0.00 11930.0 !PITZ2001 !R5363 CJXCCXO+CO=OXCCXCCJXO 1.51E+11 0.0 4810.0 !PITZ2001 !R5371 CXCCXCXO+OH=CJXCCXCXO+H2O 2.02E+13 0.0 5933.0 !PITZ2001 !R5372 CXCCXCXO+C6H5=CJXCCXCXO+C6H6 2.02E+13 0.0 8933.0 !PROVA !R5373 CXCCXCXO+O=C2H3CHO+CO .32E+14 -0.34 4674.0 !PROVA !R5375 CXCCXCXO+H=C3H5-A+CO 6.60E+13 -0.02 2740.0 !PITZ2001 !R5383 CJXCCXO=C2H3CO 1.40E+09 0.98 32100.0 !PITZ2001 !R5384 C2H2+HCO=CJXCCXO 7.77E+06 1.41 7755.0 !PITZ2001 !R5385 CJXCCXO+O2=HCOHCO+HCO 5.42E+12 0.0 0.0 !PITZ2001 !R5386 C3H5-A+OH=C3H4-A+H2O 6.03E+12 0.0 0.0 !PITZ2001 !R5388 HCO+HCO=HCOHCO 6.0e12 0.0 -1000.0 !WJP: estimate based on rate at 300K: http://kinetics.nist.gov/kinetics/Detail?id=1985STO/SCH135:1. !R5389 HCOHCO+O2<=>HO2+HCOCJXO 8.07E+15 0.0 5.342E+04 !WJP: analogy with CH2O+O2=HCO+HO2 !R5390 HCOHCO+OH=H2O+HCOCJXO 3.43E+09 1.18 -447.0 !PITZ2001 !R5391 HCOHCO+O=OH+HCOCJXO 4.16E+11 0.57 2762.0 !PITZ2001 !R5392 HCOHCO+H=H2+HCOCJXO 2.29E+10 1.05 3279.0 !PITZ2001 !R5393 HCOCJXO+O2=OCHO+CO2 7.27E+25 -3.97 6890.0 !PITZ2001 !R5394 HCOCJXO=CO+HCO 4.20E+12 0.0 10800.0 !PITZ2001 !R5395 OCHO+O=OH+CO2 6.00E+12 0.0 0.0 !PITZ2001 !R5396 OCHO+OH=H2O+CO2 6.00E+12 0.0 0.0 !PITZ2001 !R5397 C3H3+C3H3=C6H5+H 3.e+12 0.000 0.000 !!! mILANO 3.67E+26 -3.88 28960.0 !PITZ2001 !R5398 C3H3+C3H3=FULVENE 1.26E+56 -12.61 23520.0 !PITZ2001 !R5399 C3H3+C3H3=C6H6 3.89E+50 -11.01 20320.0 !PITZ2001 !R5401 CYC5H8+H=C3H5-A+C2H4 1.28E+27 -4.07 11800.0 !PITZ2001 !R5402 CYC5H8=CYC5H7U1+H 5.00E+15 0.0 84170.0 !PITZ2001 !R5403 CYC5H7U1+H2=CYC5H8+H 1.08E+05 2.38 19000.0 !PITZ2001 !R5404 CYC5H7U1+O2=CXOCCCJCXO 8.00E+24 -3.8 20000.0 !PITZ2001 !R5405 CYC5H7U1=CXCCXCCJ 3.20E+15 0.0 39500.0 !ALZUETA19982000 !R5406 CYC5H5OH+HO2=H2O2+CYC5H4OH 3.61E+03 2.55 10531.0 !PITZ2001 !R5407 CYC5H5OH+HO2=H2O2+CYC5H5OJ 1.00E+13 0.0 15800.0 !PITZ2001 !R5408 CYC5H5OH+OH=H2O+CYC5H4OH 5.48E+12 0.0 1731.0 !PITZ2001 !R5409 CYC5H5OH+OH=H2O+CYC5H5OJ 1.00E+13 0.0 1697.0 !PITZ2001 !R5410 CYC5H5OH+O=OH+CYC5H4OH 4.17E+11 0.0 0.0 !PITZ2001 !R5411 CYC5H5OH+O=OH+CYC5H5OJ 1.00E+13 0.0 4683.0 !PITZ2001 !R5412 CYC5H5OH+H=H2+CYC5H4OH 3.15E+12 0.0 0.0 !PITZ2001 !R5413 CYC5H5OH+H=H2+CYC5H5OJ 4.00E+13 0.0 6094.0 !PITZ2001 !R5414 CYC5H4OH=CYPDONE+H 1.00E+13 0.0 47450.0 !PITZ2001 !R5415 CYC5H5OJ=NC4H5+CO 1.07E+79 -19.62 66250.0 !PITZ2001 !R5416 CYC5H5OJ=OXCCXCCXCJ 3.00E+13 0.0 33000.0 !emdee - Butler !!??? !R5417 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!!! !R5418 C6H5CH2J+IC4H7=CR1 1.00E+13 0.0 0.0 !RECOMB. !R5419 CR1+H=CR2+H2 3.16E+12 0.00 0.0 !EQUAL TO C14H14+H !R5420 CR1+OH=CR2+H2O 7.00E+10 1.00 -1100.0 !EQUAL TO C14H14+OH !R5421 CR1+O=CR2+OH 8.40E+11 0.00 -2000.0 !EQUAL TO C14H14+O !R5422 STYR+C3H5-T=CR2 1.00E+13 0.0 0.0 !RECOMB. !R5423 NC4H5+C4H4=STYR+H 2.168E+12 0.0 5007.1 !MM_TSANG1991 !R5424 CY13PD5J+C3H3=C6H5C2H2+H 2.500E+12 0.0 6200. !2001LIN/MAU409-432 /2 !R5425 C6H5+C3H6=CR3+H 2.168E+12 0.0 5007.1 !TSANG1991 !R5426 C6H5+C3H6=STYR+CH3 2.168E+12 0.0 5007.1 !TSANG1991 !R5427 C6H5+C3H6=CR4+H 2.168E+12 0.0 5007.1 !TSANG1991 !R5428 C6H5+IC4H8=CR3+CH3 2.168E+12 0.0 5007.1 !TSANG1991 !R5430 CH3+C6H5C2H2=CR3 1.00E+13 0.0 0.0 !RECOMB. !R5431 C6H5C2H+C2H3=NAPH+H 2.168E+12 0.0 5007.1 !R5432 C6H5C2H2+CY13PD=STYR+CY13PD5J 1.20E-01 4.0 0.0 !PITZ2001 !R5433 C6H5C2H2+H=STYR 1.00E+14 0.0 0.0 !RECOMB. !R5434 C6H5CH2J+C2H3=CR4 1.00E+13 0.0 0.0 !RECOMB. !R5436 C6H5C2H2+O2=C6H5CJO+CH2O 4.50E+16 -1.39 1000.0 !BOUNACEUR2005 !R5437 C6H5C2H2+C2H2=NAPH+H 2.168E+12 0.0 7000.0 ! !R5438 C6H5CH2J+C3H4-A=C6H5CH3+C3H3 2.00E+12 0.00 12000.0 ! !R5439 C10H10+OH=C6H5OH+NC4H5 1.00E+13 0.00 0.0 !R5445 C6H6=C6H5+H 5.50E+38 -6.18 132000.0 !R5446 C6H6+O2=C6H5+HO2 6.31E+13 0.0 60832.0 !PITZ2001 67832.0 ( 1971ASA/FUJ1-12 suggests 60000) !R5447 C6H6+H=C6H5+H2 6.00E+13 0.0 12000.0 !MM PITZ2001 2.00E+13 0.0 18600.0 !R5448 C6H6+HO2=C6H5+H2O2 7.50E+03 2.5 27619.0 !PITZ2001 !R5449 C6H6+O=C6H5+OH .1624E+08 2.0 8781.96 !!!! FROM MILANO 8.00E+13 0.00 12700.0 ! !R5450 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 !R5451 C6H6+CH3=C6H5+CH4 1.700E+00 3.7 9500.0 !Pitz est based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 !R5452 C6H6+H=LINC6H7 1.22E+22 -1.87 31200.0 !PITZ2001 !R5453 C6H6+O=C6H5OJ+H 2.48E+14 -0.34 4674.0!!!.4E+14 .00 4910.00 !!!!!!!!!!!!!!!!!!!ESPERIMENTO !R5454 C6H6+O=C6H5OH .5102E+14 -0.34 4674.0 !R5455 C6H6+H=FULVENE+H 8.43E+32 -4.95 51244.0 !R5456 C6H6+OH=C6H5OH+H 80.00 3.25 5590 !!!!!!!130.00 3.25 5590 !!!!2006SET/NAK5081-5090 !R5457 C6H5+O2=C6H5O2 1.00E+13 0.00 0.0 !R5458 C6H5O2+C6H5=C6H5OJ+C6H5OJ 1.00E+13 0.00 0.0 !MM !R5460 C6H5+O2=C6H5OJ+O 8.21E+41 -7.74 27770.0 ! 8.21E+41 -7.74 27770.0 !R5461 C6H5+O2=OC6H4O+H 3.0E13 0.0 9.0E3 !NANCY !R5462 C6H5+HO2=C6H5OJ+OH 3.00E+13 0.0 0.0 !PITZ2001 !R5463 C6H5OJ+O=OC6H4O+H 2E+14 .00 0.00 !R5464 C6H5O2=C6H5OJ+O 7.51E+67 -15.72 73699.0 !PITZ2001 !R5470 FULVENE=C6H6 2.95E+31 -4.97 88470.0 !PITZ2001 !R5471 FULVENE=C6H5+H 8.51E+24 -2.51 113300.0 !PITZ2001 !R5472 FULVENE+H=FULVENYL+H2 3.03E+02 3.3 5690.0 !PITZ2001 !R5473 FULVENE+OH=FULVENYL+H2O 1.63E+08 1.42 1454.0 !PITZ2001 !R5474 FULVENYL+H=C6H5+H 1.00E+14 0.0 0.0 !PITZ2001 !R5475 FULVENYL+O2=CYPDONE+HCO 1.00E+12 0.0 0.0 !PITZ2001 !R5476 C6H5+C6H5=C12H10 2.00E+19 -2.10 2900.0 !BOUNACEUR2005 !R5477 C6H5+C6H6=C12H10+H 3.98E+11 0.00 3993.7 !FAHR1988 !R5478 C6H5OH+O2=C6H5OJ+HO2 3.00E+13 0.00 37000.0 !ALZUETA19982000 *3 !R5479 C6H5OH+H=C6H5OJ+H2 1.20E+14 0.00 12400.0 !ALZUETA19982000 1.20E+14 0.00 12400.0 !ALZUETA19982000 !R5480 C6H5OH+O=C6H5OJ+OH 1.30E+13 0.00 5000.0 !ALZUETA19982000 1.30E+13 0.00 2900.0 !ALZUETA19982000 !R5481 C6H5OH+OH=C6H5OJ+H2O 3.00E+06 2.00 -1310.0 !ALZUETA19982000 !R5482 C6H5OH+HO2=C6H5OJ+H2O2 1.00E+12 0.00 8000.0 !ALZUETA19982000 !!!! !R5483 C6H5OH+CH3=C6H5OJ+CH4 1.81E+11 0.00 9010.0 !MM !R5484 C6H5OH+C2H3=C6H5OJ+C2H4 6.00E+12 0.00 0.0 !ALZUETA19982000 !R5485 C6H5OH+NC4H5=C6H5OJ+C4H6 6.00E+12 0.00 0.0 !ALZUETA19982000 !R5486 C6H5OH+C6H5=C6H5OJ+C6H6 4.90E+12 0.00 4400.0 !ALZUETA19982000 !R5487 C6H5OH+H=C6H4OH+H2 1.899E+07 2.0 9696.0 !ELLIS2003 !R5488 C6H5OH+O=C6H4OH+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 !R5489 C6H5OH+OH=C6H4OH+H2O 23.37E+03 2.68 730.0 !Like Benzene !R5490 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 !R5491 C6H5OH+HO2=C6H4OH+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 !R5492 C6H4OH+O2=OC6H4O+OH 3.00E+29 -4.72 15600 !!COME DA SILVA 7.27E+29 -4.72 15600 !R5493 C6H5OJ+C6H5CH3=C6H5OH+C6H5CH2J 1.60E+12 0.0 15100.0 !MM in analogy to C6H5CH3+C3H5-A !R5494 C6H5OJ=CY13PD5J+CO 4.00E+11 0.00 43900.0 !ALZUETA19982000!!!! !R5495 C6H5OJ=CJCXCC#C+CO 5.0E+12 0.00 58000.0 !!!!!TEST 23 APR2010 !R5496 C6H5OJ+H=C6H5OH 1.50E+14 0.00 0.0 !MM !R5497 C6H5OJ+HO2=RODC6JDO+OH 5.00E+12 0.00 0.0 !R5498 C6H5OJ+CH3O2=RODC6JDO+CH3O 2.00E+12 0.00 0.0 !!!! !R5499 RODC6JDO=OC6H4O+H 1.000E+14 0.000 2.910E+04 !!LIKE C3H5O=CH2CHCHO !R5500 OC6H4O=CYPDONE+CO 3.70E+11 0.00 59000.0 !ALZUETA19982000 !R5501 OC6H4O+H=>CO+C2H3CO+C2H2 2.50E+13 0.00 4700.0 !R5502 OC6H4O+O=>CO+HCCO+C2H3CO 2.48E+14 -0.34 4674.0 dup !R5503 OC6H4O+O=>CO+HCCO+C2H3CO 1.40E+13 0.00 14700.0 !ALZUETA19982000 !NET dup !R5504 OC6H4O+OH=>HCO+C2H3CO+HCCO 1.00E+06 2.00 4000.0 !ALZUETA19982000 NEED ADDITION REACTION FOR LOW TEMP !R5505 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/ !R5506 C4H2+C2H2=C6H4 1.40E+07 1.40 25410.0 !R5507 C2H+C2H2=C4H2+H 1.94e13 0.238 -73.5 !Eiteneer&Frenklach IJCK2003 !R5509 C6H5+OH=C6H5OH 3.00E+13 0.0 0.0 !R5510 C6H5+O=CJCXCC#C+CO 1.00E+14 0.0 0.0 !R5511 CYC6H7+O2=C6H6+HO2 7.90E+11 0.00 9900.0 !BOUNACEUR2005 !R5512 CYC6H7+H=C6H6+H2 3.30E+12 0.00 0.0 !BOUNACEUR2005 !R5513 CYC6H7+OH=C6H6+H2O 1.00E+13 0.00 0.0 !BOUNACEUR2005 !R5514 OXCCXCCXCJ+CO=RODC6JDO 1.51E+11 0.0 4810.0 !PITZ2001 1.51E+11 0.0 4810.0 !R5515 CYPDONE+HCO=RODC6JDO 4.00E+11 0.0 4100.0 ! !R5516 C6H5+C2H5=C6H5C2H5 1.00E+14 0.0 0.0 !RECOMB. !R5517 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 !R5518 C6H5CH3=C6H5+CH3 2.660E+16 0.00 97830.4 !!!!! 4.62E25 -2.53 1.04E+05 !!!! 2006SIV/TRA9388-9399 !R5519 C6H5CH3=C6H5CH2J+H 1.090E+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 !R5520 C6H4CH3+H=C6H5CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 !R5521 C6H5CH3+H=C6H6+CH3 5.78E13 0.00 8088 !!!!!! 0.700E+06 2.00 943.0 ! 1.300E+06 2.00 943.0 ELLIS2003 !!!ELLISV Scott and WalkerV 2003 !R5522 C6H5OH+CH3=C6H5CH3+OH 4.00E+11 0.00 7700.0 !!1.00E+12 0.00 15000.0 !!! X2 !R5523 C6H5CH3+OH=HOC6H4CH3+H 80.00 3.25 5590 !!!!!!!SIMILAR TO C6H6+OH !R5524 C6H5CH3+O2=C6H5CH2J+HO2 2.180E+07 2.50 46045.0 !!!!MM !OEHLSCHLAEGERV CI 2007 2.180E+07 2.50 46045.0 !R5525 C6H5CH3+H=C6H5CH2J+H2 6.470E+00 3.98 3384.0 !OEHLSCHLAEGER et al. JPCA 2006 !R5526 C6H5CH3+O=C6H5CH2J+OH 6.00E+10 0.7 7632.0 !PITZ et al. 2001 (analogy with c3h6+o) era 6e10 !R5527 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 !R5528 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 !R5529 C6H5CH3+CH3O2=C6H5CH2J+CH3O2H 1.02E+04 2.50 12339.3 !PITZ2001V analogy with toluene+ho2 !R5530 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 !R5531 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 !R5532 C6H5CH3+C2H3=C6H5CH2J+C2H4 2.21E+00 3.50 4680.0 !PITZ2001V analogy with propene+c2h3V300-2500K (TSANGV 1991) !R5533 C6H5CH3+HCO=C6H5CH2J+CH2O 3.77E+13 0.00 23787.4 !TSTVSAKAI !R5534 C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH 1.60E+11 0.00 11100.0 !BOUNACEUR2005 !R5535 C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH 1.02E+03 2.50 12339.3 !EQUAL TO C6H5CH3+HO2V A-FACTOR/10 !R5536 C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 7.94E+12 0.00 11949.0 !PITZ2001 !R5537 C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 1.60E+11 0.00 15100.0 !BOUNACEUR2005 !R5538 C6H5CH3+C6H5=C6H5CH2J+C6H6 7.94E+12 0.00 11949.0 !PITZ2001 !R5539 C3H4-A+NC4H3=C6H5CH2J 1.00E+14 0.0 0.0 !cvn test !R5540 C6H5CH2J+O2=C6H5CH2OOJ 1.382E+41 -9.44 9020.0 !MURAKAMI2007 !R5541 C6H5CH2OOJ=C6H5CHO+OH 4.000E+76 -19.96 64725.0 !MURAKAMI2007 !R5542 C6H5CH2OOJ=C6H5OJ+CH2O 1.700E+76 -19.96 64725.0 !MURAKAMI2007 !R5543 C6H5CH2OOJ+H=C6H5CH2OOH 1.00E+14 0.00 0.0 !BOUNACEUR2005 !R5544 C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 2.00E+11 0.00 0.0 !BOUNACEUR2005 !R5545 C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 CORRECTED ACCORDING TO TC4H9O2+HO2 TO BE !REVISED!!! !R5546 C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2 6.30E+10 0.00 -720.0!!!!!!!MM ADDED !BOUNACEUR2005 TO BE !REVISED!!! !R5547 2C6H5CH2OOJ=>2C6H5CH2OJ+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 !R5548 2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2 6.30E+10 0.00 -720.0 !BOUNACEUR2005 !R5549 C6H5CH2OOH=C6H5CH2OJ+OH 1.00E+16 0.00 39000.0 !!!! 1.50E+16 0.00 42000.0 !Modified according to latest nc7 !R5550 C6H5CH2J+OH=C6H5CH2OH 2.00E+13 0.00 0.0 !PITZ2001 !R5551 C6H5CH2J+O=C6H5CHO+H 1.51E+13 0.00 0.0 !!!!!MM 1984BRE/LIT1053 P!REVIOUS 2.11E14 !R5552 C6H5CH2J+O=C6H5+CH2O 2.00E+14 0.00 0.0 !!!!!MM P!REVIOUS 1.19E+14 !R5553 C6H5CH2J+HO2=C6H5CH2OJ+OH 5.00E+12 0.00 0.0 !!!! !MM 0.5-->1.0 ORIGINAL REFERENCE FROM HIPPLER (confirmed by Bozzelli Symp2008) !R5554 C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O 5.00E+12 0.00 0.0 !!!! !WJP: analogy toC6H5CH2J+HO2=C6H5CH2OJ+OH !R5555 C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.00 34000.0 !R5556 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! !R5557 C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.67 1710.0 !PITZ2001 !R5558 C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.00 -1100.0 !R5559 C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.00 -1100.0 !R5560 C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.00 8100.0 !R5561 C6H5CH2OH+H=C6H5CHOH+H2 4.30E+00 3.98 3384.0 !!LIKE TOLUENE 2/3 !R5562 C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.00 -2000.0 !R5563 C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.00 3600.0 !R5564 C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.00 -2000.0 !R5565 C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.00 12000.0 !R5566 C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.00 12000.0 !R5567 C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.00 104069.0 !ESTIMATE FROM THERMCHEM !R5568 C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.00 101225.0 !ESTIMATE FROM THERMCHEM !R5569 C6H5CHOH=C6H5CHO+H 5.00E+13 0.00 42000.0 !!! OLD 2.00E+14 0.00 23300.0: Modifified in analogy to CH2O+H !R5570 C6H5CHOH+O2=C6H5CHO+HO2 3.810E+06 2.00 1.641E+03 !MM THIS IS THE RATE ADOPTED FOR ETHANOLV RESULTS DON'T change !R5571 C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.00 0.0 !R5572 C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.18 -447.0 !R5573 C6H5CH2OJ+O2=HO2+C6H5CHO 6.60E+10 0.00 2.200E+03 !!TSA CH3O+O2 !R5574 C6H5CH2OJ=C6H5CHO+H 1.000E+14 0.00 2.910E+04 !!!MM 2003RAU/BOY431-442 !R5575 C6H5CH2OJ=C6H5+CH2O 1.464E+20 -1.97 3.509E+04 !!!MM !R5576 C6H5CH2OJ+H=C6H5CHO+H2 4.00E+13 0.0 0.00 !R5577 C6H5CH2OJ+OH=C6H5CHO+H2O 2.00E+13 0.0 0.00 !R5578 C6H5CH2OJ+HO2=C6H5CHO+H2O2 2.00E+13 0.0 0.00 !R5579 C6H5CH2OJ+CH3=C6H5CHO+CH4 2.00E+13 0.0 0.00 !R5580 C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3 1.00E+13 0.0 0.00 !R5581 C6H5+HCO=C6H5CHO 5.00E+12 0.00 0.0 !BOUNACEUR2005 !R5582 C6H5CHO+OH=H2O+C6H5CJO 3.44E+09 1.18 -447.0 !PITZ2001 !R5583 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 !R5584 C6H5CHO=C6H5CJO+H 4.00E+15 0.00 83700.0 !BOUNACEUR2005 !R5585 C6H5CHO+O=C6H5CJO+OH 6.00E+12 0.00 1800.0 !BOUNACEUR2005 !R5586 C6H5CHO+O2=C6H5CJO+HO2 7.00E+11 0.00 39500.0 !BOUNACEUR2005 !R5587 C6H5CHO+HO2=C6H5CJO+H2O2 7.00E+02 3.00 10000.0 !Like toluene !R5588 C6H5CHO+CH3=C6H5CJO+CH4 2.00E-06 5.60 1500.0 !BOUNACEUR2005 !R5589 C6H5CHO+C6H5=C6H5CJO+C6H6 2.0E+1 3.51 3743.00 !!!NIST CH2O+C2H3 1.30E+11 0.00 11500.0 !BOUNACEUR2005 !R5590 C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 1.60E+12 0.0 13100.0 !!!! 1.26E+08 1.9 18200.0 !!TSA !R5591 C6H5CJO=C6H5+CO 1.370E+21 -2.179 3.941E+04 !MM like c2h3co=c2h3+co 3.00E+12 0.00 34860.0 !PITZ2001 !R5592 C6H5CJO+HO2=C6H5+CO2+OH 10.0E+12 0.0 0.0 !!TEST !R5593 C6H5C2H4P+H=C6H5C2H5 3.61E13 0.0 83600.0 !Curran: primary radical rule !R5594 C6H5C2H4S+H=C6H5C2H5 5.00E13 0.0 83600.0 !WJP: analagy to c4h71-3+h !R5595 C6H5C2H5+O2=C6H5C2H4P+HO2 2.100E+13 0.00 52800.0 !Curran: primary site rule !R5596 C6H5C2H5+O2=C6H5C2H4S+HO2 2.200E+12 0.00 37220.0 !Mehl: secondary allylic rule !R5597 C6H5C2H5+H=C6H5C2H4P+H2 6.650E+05 2.54 6756.0 !Mehl: primary rule for alkenes !R5598 C6H5C2H5+H=C6H5C2H4S+H2 3.376E+05 2.36 207.0 !Mehl: secondary allylic rule !R5599 C6H5C2H5+H=C6H6+C2H5 9.5E+05 2.00 943.0 !C6H5CH3+HVA-FACTORX(5/3) !R5600 C6H5C2H5+OH=C6H5C2H4P+H2O 5.27E+09 0.970 1590.0 !Curran: primary site rule !R5601 C6H5C2H5+OH=C6H5C2H4S+H2O 2.764E+04 2.64 -1919.0 !Mehl: secondary allylic rule !R5602 C6H5C2H5+O=C6H5C2H4P+OH 2.092E+06 2.424 4766.0 !Curran: primary site rule !R5603 C6H5C2H5+O=C6H5C2H4S+OH 3.50e11 0.70 5882.0 !WJP: 2/3rds primary allylic !R5604 C6H5C2H5+CH3=C6H5C2H4P+CH4 9.04E-01 3.65 7154.0 !Curran: primary site rule !R5605 C6H5C2H5+CH3=C6H5C2H4S+CH4 3.69E+00 3.31 4002.0 !Mehl: secondary allylic rule !R5606 C6H5C2H5+HO2=C6H5C2H4P+H2O2 2.04E+01 3.59 17160.0 !Curran: primary site rule !R5607 C6H5C2H5+HO2=C6H5C2H4S+H2O2 3.69E+00 3.31 4002.0 !Mehl: secondary allylic rule !R5608 C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H 6.93E-01 3.97 18280.0 !Curran: primary site rule !R5609 C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H 4.82E+03 2.55 10530.0 !Mehl: secondary allylic rule !R5610 C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH 1.02E+03 2.50 19539.0 !WJP: Ea for allyl-s case + 7.2 kcal !R5611 C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH 6.80E+02 2.50 12339.0 !WJP: C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH x 2/3 !R5612 C6H5C2H5+C2H5=C6H5C2H4P+C2H6 5.00E+10 0.00 13400.0 !Curran: primary site rule !R5613 C6H5C2H5+C2H5=C6H5C2H4S+C2H6 6.70E+10 0.00 9800.0 !WJP: c3h6+c2h5 x 2/3 !R5614 C6H5C2H4P+O2=HO2+STYR 7.561E+14 -1.01 4749.0 !WJP: same as c2h5+o2 !R5615 C6H5C2H4S+O2=HO2+STYR 7.561E+14 -1.01 4749.0 !WJP: same as c2h5+o2 !R5616 C6H5C2H4P+HO2=OH+CH2O+C6H5CH2J 9.000E+12 0.000 -1.000E+03 !WJP: primary allyl radical + HO2 !R5617 C6H5C2H4S+HO2=OH+CH3CHO+C6H5 9.64E+12 0.00 0.0 !WJP: Analogy with C6H111A3+HO2<=>C6H11O1A3+OH !R5618 C6H5+C2H4=C6H5C2H4P 2.000E+11 0.00 7800.0 !WJP: same as c2h3+c2h4 !R5619 STYR+H=C6H5C2H4S 4.240E+11 0.51 1230.0 !Curran 2006: addition to terminal C in propene !R5620 STYR+H=C6H5C2H4P 2.500E+11 0.51 2620.0 !Curran 2006: addition to internal C in propene! !R5621 C14H14=STYLBEN+H2 5.0E+12 0.00 60000.0 !!! !R5622 STYLBEN=PHENA+H2 5.0E+12 0.00 60000.0 !R5623 C14H14+O=C6H5CH2J+C6H6+CO+H 4.96E+14 -0.34 4674.0 !!! !R5624 C14H14=C14H13+H 2.750E+15 0.00 86000. !DERIVED FROM OEHLSCHLAEGER2005 2.090E+15 0.00 87463.4 !R5625 C14H14+H=C14H13+H2 6.470E+00 3.98 3384.0 !OEHLSCHLAEGER2005 like toluene !R5626 C14H14+O2=C14H13+HO2 2.80E+12 0.00 35000.0 !OEHLSCHLAEGER2005 !R5627 C14H14+O=C14H13+OH 8.40E+11 0.00 -2000.0 !OEHLSCHLAEGER2005 !R5628 C14H14+OH=C14H13+H2O 7.00E+09 1.00 -1100.0 !OEHLSCHLAEGER2005 !R5629 C14H14+HO2=C14H13+H2O2 5.40E+11 0.00 12000.0 !OEHLSCHLAEGER2005 !R5630 C14H14+CH3=C14H13+CH4 2.20E+12 0.00 9100.0 !OEHLSCHLAEGER2005 !R5631 C14H14+C6H5CH2J=C14H13+C6H5CH3 2.20E+11 0.00 9100.0 !OEHLSCHLAEGER2005 !R5632 C14H14+C6H5=C14H13+C6H6 1.06E+14 0.00 9949.0 !BOUNACEUR2005VTABLEV ESTIMATED AA !R5633 C14H14+C6H5OJ=C14H13+C6H5OH 5.43E+12 0.00 20923.0 !BOUNACEUR2005VTABLEV ESTIMATED AA !R5634 C14H13=STYLBEN+H 1.00E+13 0.00 38864.0 ! !R5635 STYR+C6H5=C14H13 2.0e11 0.0 7.8e3 !WJP: analogy to c2h4+c2h3 from Curran et al. ic8_46.mech !R5638 C6H5CH2J=>C7H6+H 8.77E+34 -5.8454 96390.0 !!MM BOZZELLI2008 GiVES SIMILAR VALUES!! Decomp to fulvenallene !R5639 C6H5CH3+H=C6H4CH3+H2 1.899E+07 2.0 9696.0 !ELLIS2003 !R5640 C6H5CH3+O=C6H4CH3+OH 2.000E+13 0.0 14700.0 !BOUNACEUR2005 !R5641 C6H5CH3+OH=C6H4CH3+H2O 23.37E+03 2.68 730.0 !Like Benzene 23.37E+03 2.68 730.0 !R5642 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 !R5643 C6H5CH3+HO2=C6H4CH3+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994 !R5644 C6H4CH3+O2=>O2C6H4CH3 1.0E+13 0.0 0.0 ! LIKE BENZENE !R5645 O2C6H4CH3=>C6H4CH3+O2 6.36E19 -1.37 4.87E04 !TEST !R5646 C6H4CH3+O2=OC6H4CH3+O 7.27E+29 -4.72 15600.0 !SILVA2007 !R5647 C6H4CH3+O2=OC6H4CH2+OH 4.35E+23 -3.36 8980.0 !SILVA2007 !R5648 C6H4CH3+O2=RODC6J(C)DO 1.024E+25 -3.54 8780.0 !SILVA2007 !R5649 O2C6H4CH3=>OC6H4CH3+O 1.64E+43 -8.82 50880.0 !SILVA2007!!!!!PROBLEMA THERMAL SEGATE!!!! !R5650 O2C6H4CH3=OC6H4CH2+OH 5.35E+43 -9.50 43440.0 !SILVA2007 !R5651 O2C6H4CH3=RODC6J(C)DO 6.64E+46 -10.16 44320.0 !SILVA2007 !R5652 OC6H4CH2=C6H6+CO 6.31E+14 0.0 67160.0 !DORRESTIJN1997 !R5653 OC6H4CH3=H+C6H6+CO 7.6E+11 0.0 43800.0 !BOUNACEUR2005 !R5654 OC6H4CH3+HO2=OC6H4O+CH3+OH 7.6E+11 0.0 43800.0 !BOUNACEUR2005 !R5655 C6H4CH3+H=C6H5CH2J+H 1.0E+13 0.0 0.0 !BOUNACEUR2005 !R5656 C6H4CH3+O=OC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 !R5657 C6H4CH3+OH=HOC6H4CH3 3.0E+13 0.0 0.0 !BOUNACEUR2005 !R5658 C6H4CH3+HO2=OC6H4CH3+OH 5.0E+12 0.0 0.0 !BOUNACEUR2005 !R5659 OC6H4CH3+H=HOC6H4CH3 2.5E+14 0.0 0.0 !1E+14BOUNACEUR2005 !!!!MM Like Phenoxy+h !R5660 HOC6H4CH3+O2=OC6H4CH3+HO2 1.0E+13 0.0 38900.0 !BOUNACEUR2 !R5661 HOC6H4CH3+O2=HOC6H4CH2+HO2 2.1E+12 0.0 39700.0 !BOUNACEUR2 !R5662 HOC6H4CH3+H=C6H5OH+CH3 5.8E+13 0.0 8100.0 !BOUNACEUR2005 !R5663 HOC6H4CH3+H=OC6H4CH3+H2 1.2E+14 0.0 12400.0 !BOUNACEUR200 !R5664 HOC6H4CH3+O=OC6H4CH3+OH 1.3E+13 0.0 2900.0 !BOUNACEUR200 !R5665 HOC6H4CH3+OH=OC6H4CH3+H2O 1.4E+08 1.4 -960.0 !BOUNACEUR20 !R5666 HOC6H4CH3+HO2=OC6H4CH3+H2O2 1.0E+12 0.0 10000.0 !BOUNACEUR2005 !R5667 HOC6H4CH3+CH3=OC6H4CH3+CH4 1.8E+11 0.0 7700.0 !BOUNACEUR2 !R5668 HOC6H4CH3+C6H5=OC6H4CH3+C6H6 4.9E+12 0.0 4400.0 !BOUNACEUR2005 !R5669 HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD 4.9E+11 0.0 9400.0 !BOUNACEUR2005 !R5670 HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH 4.9E+11 0.0 9400.0 !BOUNACEUR2005 !R5671 HOC6H4CH3+H=HOC6H4CH2+H2 1.2E+14 0.0 8400.0 !BOUNACEUR2005 !R5672 HOC6H4CH3+O=HOC6H4CH2+OH 6.3E+11 0.0 0.0 !BOUNACEUR2005 !R5673 HOC6H4CH3+OH=HOC6H4CH2+H2O 5.2E+09 1.0 870.0 !BOUNACEUR2005 !R5674 HOC6H4CH3+HO2=HOC6H4CH2+H2O2 4.0E+11 0.0 14000.0 !BOUNACEUR2005 !R5675 HOC6H4CH3+CH3=HOC6H4CH2+CH4 1.6E+12 0.0 11100.0 !BOUNACEUR2005 !R5676 HOC6H4CH3+C3H3=HOC6H4CH2+C3H4-P 1.6E+12 0.0 15100.0 !BOUNACEUR2005 !R5677 HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !R5678 HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 7.9E+13 0.0 12000.0 !BOUNACEUR2005 !R5679 HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !R5680 HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 7.9E+13 0.0 12000.0 !BOUNACEUR2005 !R5681 HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 1.6E+11 0.0 15100.0 !BOUNACEUR2005 !R5682 HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11 0.0 14000.0 !BOUNACEUR2005 !R5683 HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.6E+11 0.0 11100.0 !BOUNACEUR2005 !R5686 HOC6H4CH2+H=HOC6H4CH3 1.0E+14 0.0 0.0 !BOUNACEUR2005 !R5687 HOC6H4CH2+HO2=HOC6H4CH2OOH 5.0E+12 0.0 0.0 !BOUNACEUR2 !R5688 HOC6H4CH2+CH3=C6H5OH+C2H4 5.0E+12 0.0 0.0 !BOUNACEUR20 !R5699 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 !R5700 C6H5CH2J+CH3=C6H5C2H5 1.20E+13 0.00 200.0 !MM da 1990BRA/HIP6305 !R5701 C6H4CH3+CH3=XYLENE 1.2E+06 1.96 -3700.0 !BOUNACEUR2005 !R5702 C6H5CH2J+C6H5CH2J=C14H14 1.00E+13 0.00 454.0 !!!MM DA NIST P!REVIOUSLY 5.00E+12 0.00 454.0 !R5703 C2H+CY13PD5J=C7H6 1.00E+13 0.00 0.0 !RECOMB. !R5704 NC4H3+C3H3=C7H6 1.00E+13 0.00 0.0 !RECOMB. !R5705 C14H13+HO2=C6H5CH2J+C6H5CHO+OH 1.920E+13 0.00 0.000E+00 !EQUAL TO C2H5+HO2 !R5706 STYR+O2=HO2+C6H5C2H2 2.00E+13 0.00 57900.0 !BOUNACEUR2005 !R5707 STYR+O=C6H5+CH2CHO 3.00E+08 1.45 900.0 !BOUNACEUR2005 !R5708 STYR+OH=C6H5CH2J+CH2O 1.40E+12 0.00 0.0 !BOUNACEUR2005 !R5709 STYR+OH=C6H5CHO+CH3 2.80E+12 0.00 0.0 !BOUNACEUR2005 !R5710 STYR+H=C6H5C2H2+H2 6.60E+05 2.53 9200.0 !BOUNACEUR2005 !R5711 STYR+OH=C6H5C2H2+H2O 1.50E+06 2.00 400.0 !BOUNACEUR2005 !R5712 C6H5+C2H2=C6H5C2H2 2.70E+06 2.05 3720.0 !!!!MM 2003TOK/LIN11397-11408 !R5713 C6H6+C2H3=STYR+H 5.000E+12 0.000 7E+03 !R5714 STYLBEN+O2=HO2+PHCCHPH 4.00E+13 0.00 58200.0 !EQUAL TO C2H4+O2=C2H3+HO2 !R5715 STYLBEN+H=PHCCHPH+H2 8.42E-03 4.62 2583.0 !EQUAL TO C2H4+H=C2H3+H2 !R5716 STYLBEN+OH=PHCCHPH+H2O 2.02E+13 0.00 5955.0 !EQUAL TO C2H4+OH=C2H3+H2O !R5717 STYLBEN+O=C6H5CJO+C6H5CH2J 7.95E+03 1.66 657.4 !R5718 PHCCHPH=PHENA+H 3.00E+13 0.0 28890.0 !!!1.074E+25 -2.217 88474.6 !!!!!!!CHECK !R5719 PHCCHPH+O2=C6H5CJO+C6H5CHO 1.70E+29 -5.31 6500.0 !EQUAL TO C2H3+O2=CH2O+HCO !R5720 OCCXCCXCJC+CO=RODC6J(C)DO 1.51E+11 0.0 4810.0 !EQUAL TO RODC6JDO !R5721 OCCXCCXCJC=>C2H2+HCO+C3H4-P 3.00E+13 0.0 43710.0 !EQUAL TO OXCCXCCXCJ !R5722 OCCXCCXCJC=>C2H2+CO+C3H5-S 1.370E+21 -2.179 3.941E+04 !WJP: Isomer & decomp(rate control). Analogy to c2h3co=c2h3+co !R5723 OCCXCCXCJC+O2=OXCCXCCXO+CH3CO 5.42E+12 0.0 0.0 !EQUAL TO OXCCXCCXCJ !R5724 C6H5CH3+C6H111-3=C6H5CH2J+C6H12-1 1.00E+13 0.0 12000.0 !MM !R5725 C6H5CH3+C6H111-4=C6H5CH2J+C6H12-1 5.00E+12 0.0 10800.0 !MM !R5726 C6H5CH3+C6H111-5=C6H5CH2J+C6H12-1 5.00E+12 0.0 10800.0 !MM !R5727 C6H5CH3+C6H111-6=C6H5CH2J+C6H12-1 5.00E+12 0.0 9800.0 !MM! !R5728 C6H5CHO+C6H111-3=C6H5CJO+C6H12-1 1.60E+12 0.0 11500.0 !R5729 C6H5CHO+C6H111-4=C6H5CJO+C6H12-1 1.60E+12 0.0 7500.0 !R5730 C6H5CHO+C6H111-5=C6H5CJO+C6H12-1 1.60E+12 0.0 7500.0 !R5731 C6H5CHO+C6H111-6=C6H5CJO+C6H12-1 1.60E+12 0.0 6500.0 !R5732 IC8H18 + C7H15-1 = NC7H16 + AC8H17 1.500E+11 0.00 1.340E+04 !MM THIS REACTIONS HAVE BEEN MODIFIED ACCORDING TO THE REFERENCE VALUES ADOPTED FOR FUEL + C2H5 !R5733 IC8H18 + C7H15-1 = NC7H16 + BC8H17 5.000E+10 0.00 1.040E+04 !MM !R5734 IC8H18 + C7H15-1 = NC7H16 + CC8H17 1.000E+11 0.00 7.900E+03 !MM !R5735 IC8H18 + C7H15-1 = NC7H16 + DC8H17 1.000E+11 0.00 1.340E+04 !MM !R5736 IC8H18 + C7H15-2 = NC7H16 + AC8H17 1.500E+11 0.00 1.440E+04 !MM +1000 APPLIED TO SECONDARY H SITES !R5737 IC8H18 + C7H15-2 = NC7H16 + BC8H17 5.000E+10 0.00 1.140E+04 !MM !R5738 IC8H18 + C7H15-2 = NC7H16 + CC8H17 1.000E+11 0.00 8.900E+03 !MM !R5739 IC8H18 +C7H15-2 = NC7H16 +DC8H17 1.000E+11 0.00 1.440E+04 !MM !R5740 IC8H18 +C7H15-3 = NC7H16 +AC8H17 1.500E+11 0.00 1.440E+04 !MM !R5741 IC8H18 +C7H15-3 = NC7H16 +BC8H17 5.000E+10 0.00 1.140E+04 !MM !R5742 IC8H18 +C7H15-3 = NC7H16 +CC8H17 1.000E+11 0.00 8.900E+03 !MM !R5743 IC8H18 +C7H15-3 = NC7H16 +DC8H17 1.000E+11 0.00 1.440E+04 !MM !R5744 IC8H18 +C7H15-4 = NC7H16 +AC8H17 1.500E+11 0.00 1.440E+04 !MM !R5745 IC8H18 +C7H15-4 = NC7H16 +BC8H17 5.000E+10 0.00 1.140E+04 !MM !R5746 IC8H18 +C7H15-4 = NC7H16 +CC8H17 1.000E+11 0.00 8.900E+03 !MM !R5747 IC8H18 +C7H15-4 = NC7H16 +DC8H17 1.000E+11 0.00 1.440E+04 !MM !R5776 AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-1 1.21E+13 0 20430 !R5777 AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-2 8.06E+12 0 17700 !R5778 AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-3 8.06E+12 0 17700 !R5779 AC8H17O2 + NC7H16 = AC8H17O2H + C7H15-4 4.03E+12 0 17700 !R5780 BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-1 1.21E+13 0 20430 !R5781 BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-2 8.06E+12 0 17700 !R5782 BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-3 8.06E+12 0 17700 !R5783 BC8H17O2 +NC7H16 = BC8H17O2H +C7H15-4 4.03E+12 0 17700 !R5784 CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-1 1.21E+13 0 20430 !R5785 CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-2 8.06E+12 0 17700 !R5786 CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-3 8.06E+12 0 17700 !R5787 CC8H17O2 + NC7H16 = CC8H17O2H + C7H15-4 4.03E+12 0 17700 !R5788 DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-1 1.21E+13 0 20430 !R5789 DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-2 8.06E+12 0 17700 !R5790 DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-3 8.06E+12 0 17700 !R5791 DC8H17O2 +NC7H16 = DC8H17O2H +C7H15-4 4.03E+12 0 17700 !R5792 C7H15O2-1 + IC8H18 = AC8H17 +C7H15O2H-1 2.52E+13 0 20440 !R5793 C7H15O2-2 + IC8H18 = AC8H17 +C7H15O2H-2 2.52E+13 0 20440 !R5794 C7H15O2-3 + IC8H18 = AC8H17 +C7H15O2H-3 2.52E+13 0 20440 !R5795 C7H15O2-4 + IC8H18 = AC8H17 +C7H15O2H-4 2.52E+13 0 20440 !R5796 C7H15O2-1 + IC8H18 = BC8H17 +C7H15O2H-1 5.60E+12 0 17690 !R5797 C7H15O2-2 + IC8H18 = BC8H17 +C7H15O2H-2 5.60E+12 0 17690 !R5798 C7H15O2-3 + IC8H18 = BC8H17 +C7H15O2H-3 5.60E+12 0 17690 !R5799 C7H15O2-4 + IC8H18 = BC8H17 +C7H15O2H-4 5.60E+12 0 17690 !R5800 C7H15O2-1 + IC8H18 = CC8H17 +C7H15O2H-1 2.80E+12 0 16100 !R5801 C7H15O2-2 + IC8H18 = CC8H17 +C7H15O2H-2 2.80E+12 0 16100 !R5802 C7H15O2-3 + IC8H18 = CC8H17 +C7H15O2H-3 2.80E+12 0 16100 !R5803 C7H15O2-4 + IC8H18 = CC8H17 +C7H15O2H-4 2.80E+12 0 16100 !R5804 C7H15O2-1 + IC8H18 = DC8H17 +C7H15O2H-1 1.68E+13 0 20440 !R5805 C7H15O2-2 + IC8H18 = DC8H17 +C7H15O2H-2 1.68E+13 0 20440 !R5806 C7H15O2-3 + IC8H18 = DC8H17 +C7H15O2H-3 1.68E+13 0 20440 !R5807 C7H15O2-4 + IC8H18 = DC8H17 +C7H15O2H-4 1.68E+13 0 20440 !R5809 IC8H18 +YC7H15O2 = AC8H17+ YC7H15O2H 2.52E+13 0 20440 !R5812 IC8H18 +YC7H15O2 = BC8H17 + YC7H15O2H 5.60E+12 0 17690 !R5815 IC8H18 + YC7H15O2 = CC8H17 +YC7H15O2H 2.80E+12 0 16100 !R5818 IC8H18 + YC7H15O2 = DC8H17 +YC7H15O2H 1.68E+13 0 20440 !R5822 IC8H18 + PC7H15O2 = PC7H15O2H +AC8H17 2.52E+13 0 20440 !R5826 IC8H18 + PC7H15O2 = PC7H15O2H +BC8H17 5.60E+12 0 17690 !R5830 IC8H18 +PC7H15O2 = PC7H15O2H + CC8H17 2.80E+12 0 16100 !R5834 IC8H18 +PC7H15O2 = PC7H15O2H + DC8H17 1.68E+13 0 20440 !R5864 C7H15-1 + C6H12-1 = NC7H16 + C6H111-3 7.000E+10 0.00 7.900E+03 !R5865 C7H15-1 + C6H12-1 = NC7H16 + C6H111-4 5.000E+10 0.00 1.040E+04 !R5866 C7H15-1 + C6H12-1 = NC7H16 + C6H111-5 5.000E+10 0.00 1.040E+04 !R5867 C7H15-1 + C6H12-1 = NC7H16 + C6H111-6 5.000E+10 0.00 1.340E+04 !R5868 C7H15-2 + C6H12-1 = NC7H16 + C6H111-3 7.000E+10 0.00 8.900E+03 !R5869 C7H15-2 + C6H12-1 = NC7H16 + C6H111-4 5.000E+10 0.00 1.140E+04 !R5870 C7H15-2 + C6H12-1 = NC7H16 + C6H111-5 5.000E+10 0.00 1.140E+04 !R5871 C7H15-2 + C6H12-1 = NC7H16 + C6H111-6 5.000E+10 0.00 1.440E+04 !R5872 C7H15-3 + C6H12-1 = NC7H16 + C6H111-3 7.000E+10 0.00 8.900E+03 !R5873 C7H15-3 + C6H12-1 = NC7H16 + C6H111-4 5.000E+10 0.00 1.140E+04 !R5874 C7H15-3 + C6H12-1 = NC7H16 + C6H111-5 5.000E+10 0.00 1.140E+04 !R5875 C7H15-3 + C6H12-1 = NC7H16 + C6H111-6 5.000E+10 0.00 1.440E+04 !R5876 C7H15-4 + C6H12-1 = NC7H16 + C6H111-3 7.000E+10 0.00 8.900E+03 !R5877 C7H15-4 + C6H12-1 = NC7H16 + C6H111-4 5.000E+10 0.00 1.140E+04 !R5878 C7H15-4 + C6H12-1 = NC7H16 + C6H111-5 5.000E+10 0.00 1.140E+04 !R5879 C7H15-4 + C6H12-1 = NC7H16 + C6H111-6 5.000E+10 0.00 1.440E+04 !R5880 AC8H17 + C6H12-1 = IC8H18 + C6H111-3 7.000E+10 0.00 7.900E+03 !R5881 AC8H17 + C6H12-1 = IC8H18 + C6H111-4 5.000E+10 0.00 1.040E+04 !R5882 AC8H17 + C6H12-1 = IC8H18 + C6H111-5 5.000E+10 0.00 1.040E+04 !R5883 AC8H17 + C6H12-1 = IC8H18 + C6H111-6 5.000E+10 0.00 1.340E+04 !R5884 BC8H17 + C6H12-1 = IC8H18 + C6H111-3 7.000E+10 0.00 8.900E+03 !R5885 BC8H17 + C6H12-1 = IC8H18 + C6H111-4 5.000E+10 0.00 1.140E+04 !R5886 BC8H17 + C6H12-1 = IC8H18 + C6H111-5 5.000E+10 0.00 1.140E+04 !R5887 BC8H17 + C6H12-1 = IC8H18 + C6H111-6 5.000E+10 0.00 1.440E+04 !R5888 CC8H17 + C6H12-1 = IC8H18 + C6H111-3 7.000E+10 0.00 1.190E+04 !MM !R5889 CC8H17 + C6H12-1 = IC8H18 + C6H111-4 5.000E+10 0.00 1.440E+04 !MM !R5890 CC8H17 + C6H12-1 = IC8H18 + C6H111-5 5.000E+10 0.00 1.440E+04 !MM !R5891 CC8H17 + C6H12-1 = IC8H18 + C6H111-6 5.000E+10 0.00 1.740E+04 !MM !R5892 DC8H17 + C6H12-1 = IC8H18 + C6H111-3 7.000E+10 0.00 7.900E+03 !R5893 DC8H17 + C6H12-1 = IC8H18 + C6H111-4 5.000E+10 0.00 1.040E+04 !R5894 DC8H17 + C6H12-1 = IC8H18 + C6H111-5 5.000E+10 0.00 1.040E+04 !R5895 DC8H17 + C6H12-1 = IC8H18 + C6H111-6 5.000E+10 0.00 1.340E+04 !R5896 AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-6 6.05E+12 0 20430 !MM !R5897 AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-4 4.03E+12 0 17700 !MM !R5898 AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-5 4.03E+12 0 17700 !MM !R5899 AC8H17O2 + C6H12-1 = AC8H17O2H + C6H111-3 2.01E+12 0 13700 !MM !R5900 BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-6 6.05E+12 0 20430 !MM !R5901 BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-4 4.03E+12 0 17700 !MM !R5902 BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-5 4.03E+12 0 17700 !MM !R5903 BC8H17O2 + C6H12-1 = BC8H17O2H + C6H111-3 2.01E+12 0 13700 !MM !R5904 CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-6 6.05E+12 0 20430 !MM !R5905 CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-4 4.03E+12 0 17700 !MM !R5906 CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-5 4.03E+12 0 17700 !MM !R5907 CC8H17O2 + C6H12-1 = CC8H17O2H + C6H111-3 2.01E+12 0 13700 !MM !R5908 DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-6 6.05E+12 0 20430 !MM !R5909 DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-4 4.03E+12 0 17700 !MM !R5910 DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-5 4.03E+12 0 17700 !MM !R5911 DC8H17O2 + C6H12-1 = DC8H17O2H + C6H111-3 2.01E+12 0 13700 !MM !R5912 C7H15O2-1 + C6H12-1 = C6H111-6 +C7H15O2H-1 6.05E+12 0 20430 !MM !R5913 C7H15O2-1 + C6H12-1 = C6H111-4 +C7H15O2H-2 4.03E+12 0 17700 !MM !R5914 C7H15O2-1 + C6H12-1 = C6H111-5 +C7H15O2H-3 4.03E+12 0 17700 !MM !R5915 C7H15O2-1 + C6H12-1 = C6H111-3 +C7H15O2H-4 2.01E+12 0 13700 !MM !R5916 C7H15O2-2 + C6H12-1 = C6H111-6 +C7H15O2H-1 6.05E+12 0 20430 !MM !R5917 C7H15O2-2 + C6H12-1 = C6H111-4 +C7H15O2H-2 4.03E+12 0 17700 !MM !R5918 C7H15O2-2 + C6H12-1 = C6H111-5 +C7H15O2H-3 4.03E+12 0 17700 !MM !R5919 C7H15O2-2 + C6H12-1 = C6H111-3 +C7H15O2H-4 2.01E+12 0 13700 !MM !R5920 C7H15O2-3 + C6H12-1 = C6H111-6 +C7H15O2H-1 6.05E+12 0 20430 !MM !R5921 C7H15O2-3 + C6H12-1 = C6H111-4 +C7H15O2H-2 4.03E+12 0 17700 !MM !R5922 C7H15O2-3 + C6H12-1 = C6H111-5 +C7H15O2H-3 4.03E+12 0 17700 !MM !R5923 C7H15O2-3 + C6H12-1 = C6H111-3 +C7H15O2H-4 2.01E+12 0 13700 !MM !R5924 C7H15O2-4 + C6H12-1 = C6H111-6 +C7H15O2H-1 6.05E+12 0 20430 !MM !R5925 C7H15O2-4 + C6H12-1 = C6H111-4 +C7H15O2H-2 4.03E+12 0 17700 !MM !R5926 C7H15O2-4 + C6H12-1 = C6H111-5 +C7H15O2H-3 4.03E+12 0 17700 !MM !R5927 C7H15O2-4 + C6H12-1 = C6H111-3 +C7H15O2H-4 2.01E+12 0 13700 !MM !R5928 C7H15-1 + C6H5CH3 = NC7H16 + C6H5CH2J 7.000E+12 0.00 7.900E+03 !R5929 C7H15-2 + C6H5CH3 = NC7H16 + C6H5CH2J 7.000E+12 0.00 8.900E+03 !R5930 C7H15-3 + C6H5CH3 = NC7H16 + C6H5CH2J 7.000E+12 0.00 8.900E+03 !R5931 C7H15-4 + C6H5CH3 = NC7H16 + C6H5CH2J 7.000E+12 0.00 8.900E+03 !R5932 AC8H17 + C6H5CH3 = IC8H18 + C6H5CH2J 7.000E+12 0.00 7.900E+03 !R5933 BC8H17 + C6H5CH3 = IC8H18 + C6H5CH2J 7.000E+12 0.00 8.900E+03 !R5934 CC8H17 + C6H5CH3 = IC8H18 + C6H5CH2J 7.000E+12 0.00 1.190E+04 !MM !R5935 DC8H17 + C6H5CH3 = IC8H18 + C6H5CH2J 7.000E+12 0.00 7.900E+03 END