!10-14-2011 SMS ver 1.1 fixed 2.000e+19 rev rate in !dc6h13 + o2 = cc6h12+ho2 3.000e-19 0.00 3.000e+03 !rev/ 2.000e-19 0.00 1.750e+04 / !dc6h13 + o2 = dc6h12+ho2 4.500e-19 0.00 5.020e+03 !rev/ 2.000e-19 0.00 1.750e+04 / !ec6h13 + o2 = dc6h12+ho2 3.000e-19 0.00 3.000e+03 !rev/ 2.000e-19 0.00 1.750e+04 / ! !S.M. Sarathy, M. Mehl, C. K. Westbrook, W. J. Pitz,C. Togbe, P. Dagaut, H. Wang, M.A. Oehlschlaeger, U. Niemann, K. Seshadri,P.S. Veloo, C. Ji, F.N. Egolfopoulos, T. Lu !Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 ! Combustion and Flame 2011 ! !Detailed low T and high T mech for species up to C8 elements c h n o ar he end species oh* h h2 o o2 oh h2o n2 ho2 h2o2 ar co co2 ch2o hco ho2cho o2cho hocho ocho hoch2o2h hoch2o2 och2o2h hoch2o ch3oh ch2oh ch3o ch3o2h ch3o2 ch4 ch3 ch2 ch2(s) c ch c2h6 c2h5 c2h4 c2h3 c2h2 c2h ch3cho ch3co ch2cho ch2co hcco hccoh ch3co3h ch3co3 ch3co2 c2h5oh c2h5o pc2h4oh sc2h4oh o2c2h4oh c2h5o2h c2h5o2 c2h4o2h c2h4o1-2 c2h3o1-2 ch3coch3 ch3coch2 ch3coch2o2 ch3coch2o2h ch3coch2o c2h3cho c2h3co c2h5cho c2h5co ch3och3 ch3och2 ch3och2o2 ch2och2o2h ch3och2o2h ch3och2o o2ch2och2o2h ho2ch2ocho och2ocho hoch2oco ch3ocho ch3oco ch2ocho he c3h8 ic3h7 nc3h7 c3h6 c3h5-a c3h5-s c3h5-t c3h4-p c3h4-a c3h3 c3h2 c3h5o c3h6ooh1-2 c3h6ooh1-3 c3h6ooh2-1 c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h6ooh2-2 nc3h7o2h ic3h7o2h nc3h7o2 ic3h7o2 nc3h7o ic3h7o c3h6o1-2 c3h6o1-3 c3ket12 c3ket13 c3ket21 c3h51-2,3ooh c3h52-1,3ooh c3h6oh hoc3h6o2 ch3chco ac3h5ooh c2h3ooh c4h10 c4h8-1 c4h8-2 pc4h9 sc4h9 c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 c4h6 pc4h9o2h sc4h9o2h pc4h9o2 sc4h9o2 pc4h9o sc4h9o c4h7o c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 pc4h8oh sc4h8oh c4h8oh-1o2 c4h8oh-2o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 c2h5coch3 c2h5coch2 ch2ch2coch3 ch3chcoch3 c2h3coch3 ch3choococh3 ch2choohcoch3 nc3h7cho nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 c2h5chco sc3h5cho sc3h5co ch2ch2cho ic4h10 ic4h9 tc4h9 ic4h8 ic4h7 tc4h9o2 ic4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t ic4h8o cc4h8o ic4h9o tc4h9o ic4h9o2h tc4h9o2h ic4h7o ic4h8oh io2c4h8oh ic3h7cho tc3h6cho ic3h7co ic3h6cho tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 ic4ketii ic4ketit ic4h7oh ic4h6oh ic3h5cho ic3h5co tc3h6ocho ic3h6co ic4h7ooh tc3h6ohcho tc3h6oh ic3h5oh tc3h6o2cho tc3h6o2hco ic3h5o2hcho ch2cch2oh tc4h8cho o2c4h8cho o2hc4h8co c3h5oh tic4h7q2-i iic4h7q2-t iic4h7q2-i ch2o2h nc5h12 c5h11-1 c5h11-2 c5h11-3 c5h10-1 c5h10-2 c5h81-3 c5h91-3 c5h91-4 c5h91-5 c5h92-4 c5h92-5 c5h9o1-3 c5h9o2-4 c5h11o2h-1 c5h11o2h-2 c5h11o2h-3 c5h11o2-1 c5h11o2-2 c5h11o2-3 c5h11o-1 c5h11o-2 c5h11o-3 c5h10ooh1-2 c5h10ooh1-3 c5h10ooh1-4 c5h10ooh1-5 c5h10ooh2-1 c5h10ooh2-3 c5h10ooh2-4 c5h10ooh2-5 c5h10ooh3-2 c5h10ooh3-1 c5h10o1-2 c5h10o1-3 c5h10o1-4 c5h10o1-5 c5h10o2-3 c5h10o2-4 c5h10ooh1-2o2 c5h10ooh1-3o2 c5h10ooh1-4o2 c5h10ooh1-5o2 c5h10ooh2-1o2 c5h10ooh2-3o2 c5h10ooh2-4o2 c5h10ooh2-5o2 c5h10ooh3-1o2 c5h10ooh3-2o2 nc5ket12 nc5ket13 nc5ket14 nc5ket15 nc5ket21 nc5ket23 nc5ket24 nc5ket25 nc5ket31 nc5ket32 c5h10oh-1 c5h10oh-2 o2c5h10oh-1 o2c5h10oh-2 ! ! nc6h14 c6h13-1 c6h13-2 c6h13-3 c6h12-1 c6h12-2 c6h12-3 c6h111-3 c6h111-4 c6h111-5 c6h111-6 c6h112-4 c6h112-5 c6h112-6 c6h113-1 c6h11o1-3 c6h11o2-4 c6h12o1-2 c6h12o1-3 c6h12o1-4 c6h12o1-5 c6h12o2-3 c6h12o2-4 c6h12o2-5 c6h12o3-4 c6h13o2h-1 c6h13o2h-2 c6h13o2h-3 c6h13o2-1 c6h13o2-2 c6h13o2-3 c6h12ooh1-2 c6h12ooh1-3 c6h12ooh1-4 c6h12ooh1-5 c6h12ooh2-1 c6h12ooh2-3 c6h12ooh2-4 c6h12ooh2-5 c6h12ooh2-6 c6h12ooh3-1 c6h12ooh3-2 c6h12ooh3-4 c6h12ooh3-5 c6h12ooh3-6 c6h12ooh1-2o2 c6h12ooh1-3o2 c6h12ooh1-4o2 c6h12ooh1-5o2 c6h12ooh2-1o2 c6h12ooh2-3o2 c6h12ooh2-4o2 c6h12ooh2-5o2 c6h12ooh2-6o2 c6h12ooh3-1o2 c6h12ooh3-2o2 c6h12ooh3-4o2 c6h12ooh3-5o2 c6h12ooh3-6o2 nc6ket12 nc6ket13 nc6ket14 nc6ket15 nc6ket21 nc6ket23 nc6ket24 nc6ket25 nc6ket26 nc6ket31 nc6ket32 nc6ket34 nc6ket35 nc6ket36 c6h13o-1 c6h13o-2 c6h13o-3 c6h12oh-1 c6h12oh-2 c6h12oh-3 o2c6h12oh-1 o2c6h12oh-2 o2c6h12oh-3 nc4h9cho nc4h9co c4h8cho-1 c4h8cho-2 c4h8cho-3 c4h8cho-4 ac3h5cho ac3h5co c2h3chcho nc3h7coch3 nc3h7coch2 c3h6coch3-1 c3h6coch3-2 c3h6coch3-3 c2h5coc2h5 c2h5coc2h4p c2h5coc2h4s c2h5coc2h3 pc2h4coc2h3 sc2h4coc2h3 nc7h16 c7h15-1 c7h15-2 c7h15-3 c7h15-4 c7h14-1 c7h14-2 c7h14-3 c7h131-3 c7h131-4 c7h131-5 c7h131-6 c7h131-7 c7h132-4 c7h132-5 c7h132-6 c7h132-7 c7h133-1 c7h133-5 c7h133-6 c7h133-7 c7h13o1-3 c7h13o2-4 c7h13o3-5 c7h15o2-1 c7h15o2-2 c7h15o2-3 c7h15o2-4 c7h15o2h-1 c7h15o2h-2 c7h15o2h-3 c7h15o2h-4 c7h15o-1 c7h15o-2 c7h15o-3 c7h15o-4 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh1-5 c7h14ooh2-1 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh2-6 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh3-7 c7h14ooh4-1 c7h14ooh4-2 c7h14ooh4-3 c7h14ooh1-2o2 c7h14ooh1-3o2 c7h14ooh1-4o2 c7h14ooh1-5o2 c7h14ooh2-1o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh2-6o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh3-7o2 c7h14ooh4-1o2 c7h14ooh4-2o2 c7h14ooh4-3o2 c7h14o1-2 c7h14o1-3 c7h14o1-4 c7h14o1-5 c7h14o2-3 c7h14o2-4 c7h14o2-5 c7h14o2-6 c7h14o3-4 c7h14o3-5 nc7ket12 nc7ket13 nc7ket14 nc7ket15 nc7ket21 nc7ket23 nc7ket24 nc7ket25 nc7ket26 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket37 nc7ket41 nc7ket42 nc7ket43 c7h14oh-1 c7h14oh-2 c7h14oh-3 o2c7h14oh-1 o2c7h14oh-2 o2c7h14oh-3 nc5h11cho nc5h11co c5h10cho-1 c5h10cho-2 c5h10cho-3 c5h10cho-4 c5h10cho-5 c4h7cho1-4 c4h7co1-4 c4h6cho1-43 c4h6cho1-44 nc4h9coch3 nc4h9coch2 c4h8coch3-1 c4h8coch3-2 c4h8coch3-3 c4h8coch3-4 c4h7ooh1-4 c4h7o1-4 c5h9ooh1-4 c5h9o1-4 c5h9ooh1-5 c5h9o1-5 c6h11ooh1-4 c6h11o1-4 c6h11ooh1-5 c6h11o1-5 c5h91-1 c4h7cho1-1 c4h7co1-1 c4h6cho1-14 c4h6cho1-13 nc3h7coc2h5 c3h6coc2h5-1 c3h6coc2h5-2 c3h6coc2h5-3 nc3h7coc2h4p nc3h7coc2h4s chchcho c6h101-3 c6h101-4 c6h101-5 c6h102-4 etes1 mvox vthf edhf etc6 kes1 c6h111o2h-3 c6h111o2h-4 c6h111o2h-5 c6h111o2h-6 c6h112o2h-4 c6h112o2h-5 c6h112o2h-6 c6h113o2h-2 c6h113o2h-1 nc6d1ket34 nc6d1ket35 nc6d1ket36 nc6d1ket43 nc6d1ket45 nc6d1ket46 nc6d1ket53 nc6d1ket54 nc6d1ket56 nc6d1ket63 nc6d1ket64 nc6d1ket65 nc6d2ket45 nc6d2ket46 nc6d2ket54 nc6d2ket56 nc6d2ket64 nc6d2ket65 nc6d3ket12 nc6d3ket21 c6h112o2-1 c6h111o2-3 c6h111o2-4 c6h111o2-5 c6h111o2-6 c6h112o2-4 c6h112o2-5 c6h112o2-6 c6h113o2-1 c6h113o2-2 c6h101ooh3-4 c6h101ooh3-5 c6h101ooh3-6 c6h101ooh4-3 c6h101ooh4-5 c6h101ooh4-6 c6h101ooh5-3 c6h101ooh5-4 c6h101ooh5-6 c6h101ooh6-3 c6h101ooh6-4 c6h101ooh6-5 c6h101ooh3-4o2 c6h101ooh3-5o2 c6h101ooh3-6o2 c6h101ooh4-3o2 c6h101ooh4-5o2 c6h101ooh4-6o2 c6h101ooh5-3o2 c6h101ooh5-4o2 c6h101ooh5-6o2 c6h101ooh6-3o2 c6h101ooh6-4o2 c6h101ooh6-5o2 c6h102ooh5-4 c6h103ooh1-2 c6h102ooh4-5 c6h102ooh4-6 c6h102ooh5-6 c6h102ooh6-4 c6h102ooh6-5 c6h103ooh2-1 c6h102ooh4-5o2 c6h102ooh4-6o2 c6h102ooh5-4o2 c6h102ooh5-6o2 c6h102ooh6-4o2 c6h102ooh6-5o2 c6h103ooh2-1o2 c6h103ooh1-2o2 c2h3coc3h7 c5h81-4 c5h91o2-3 c5h91o2-4 c5h91o2-5 c5h81ooh3-4 c5h81ooh3-5 c5h81ooh4-3 c5h81ooh4-5 c5h81ooh5-4 c5h81ooh5-3 c5h92o2-1 c5h81ooh3-4o2 c5h81ooh3-5o2 c5h81ooh4-3o2 c5h81ooh4-5o2 c5h81ooh5-3o2 c5h81ooh5-4o2 nc5d1ket34 nc5d1ket35 nc5d1ket43 nc5d1ket45 nc5d1ket53 nc5d1ket54 cy3c5h8o ! ! ! ic6keteb ic5ketdb ! ! n-alkane and alkyl radical species ! nc8h18 c8h17-1 c8h17-2 c8h17-3 c8h17-4 ! ! ! olefin species ! c8h16-1 c8h16-2 c8h16-3 c8h16-4 ! !! ro species ! c8h17o-1 c8h17o-2 c8h17o-3 c8h17o-4 ! ! ! ro2 species ! c8h17o2-1 c8h17o2-2 c8h17o2-3 c8h17o2-4 ! ! ! rooh species ! c8h17o2h-1 c8h17o2h-2 c8h17o2h-3 c8h17o2h-4 ! ! ! qooh species ! c8ooh1-2 c8ooh1-3 c8ooh1-4 c8ooh1-5 c8ooh2-1 c8ooh2-3 c8ooh2-4 c8ooh2-5 c8ooh2-6 c8ooh3-1 c8ooh3-2 c8ooh3-4 c8ooh3-5 c8ooh3-6 c8ooh3-7 c8ooh4-1 c8ooh4-2 c8ooh4-3 c8ooh4-5 c8ooh4-6 c8ooh4-7 c8ooh4-8 ! ! ! o2qooh species ! c8ooh1-2o2 c8ooh1-3o2 c8ooh1-4o2 c8ooh1-5o2 c8ooh2-1o2 c8ooh2-3o2 c8ooh2-4o2 c8ooh2-5o2 c8ooh2-6o2 c8ooh3-1o2 c8ooh3-2o2 c8ooh3-4o2 c8ooh3-5o2 c8ooh3-6o2 c8ooh3-7o2 c8ooh4-1o2 c8ooh4-2o2 c8ooh4-3o2 c8ooh4-5o2 c8ooh4-6o2 c8ooh4-7o2 c8ooh4-8o2 ! ! ! cyclic ether species ! ! c8o1-2 c8o1-3 c8o1-4 c8o1-5 c8o2-3 c8o2-4 c8o2-5 c8o2-6 c8o3-4 c8o3-5 c8o3-6 c8o4-5 ! ! ! ketohydroperoxide species ! ! c8ket1-2 c8ket1-3 c8ket1-4 c8ket1-5 c8ket2-1 c8ket2-3 c8ket2-4 c8ket2-5 c8ket2-6 c8ket3-1 c8ket3-2 c8ket3-4 c8ket3-5 c8ket3-6 c8ket3-7 c8ket4-1 c8ket4-2 c8ket4-3 c8ket4-5 c8ket4-6 c8ket4-7 c8ket4-8 ! ! c8h17coch2 c7h15coch2 c6h13coch2 c5h11coch2 c8coc2h4p c7coc2h4p c6coc2h4p c5coc2h4p c4coc2h4p ! ! c8coc3h6p c7coc3h6p c6coc3h6p c5coc3h6p c4coc3h6p c3coc3h6p ! ! nc3h7coc2h3 nc4h9coc2h3 c5h11coc2h3 c6h13coc2h3 ! nc3h7chco nc4h9chco c5h11chco c6h13chco c7h15chco ! ! large aldehydes ! ! nc8h17cho nc7h15cho nc6h13cho nc8h17co nc7h15co nc6h13co c4h8cho4-2 ! ! ic8h17cho ic7h15cho ic6h13cho ic5h11cho ic4h9cho ic8h17co ic7h15co ic6h13co ic5h11co ic4h9co ! ! ! ! nc8h17coch2 nc7h15coch2 nc6h13coch2 nc5h11coch2 ! ! ic8h17coch2 ic7h15coch2 ic6h13coch2 ic5h11coch2 ic4h9coch2 ic3h7coch2 ! ! nc8h17coc2h4p nc7h15coc2h4p nc6h13coc2h4p nc5h11coc2h4p nc4h9coc2h4p ! ! ic8h17coc2h4p ic7h15coc2h4p ic6h13coc2h4p ic5h11coc2h4p ic4h9coc2h4p ic3h7coc2h4p ! ! nc8h17coc2h3 nc7h15coc2h3 nc6h13coc2h3 nc5h11coc2h3 nc4h9coc2h3 nc3h7coc2h3 ! ! ! nc8h17coc3h6p nc7h15coc3h6p nc6h13coc3h6p nc5h11coc3h6p nc4h9coc3h6p nc3h7coc3h6p ! ! ic8h17coc3h6p ic7h15coc3h6p ic6h13coc3h6p ic5h11coc3h6p ic4h9coc3h6p ic3h7coc3h6p ! ! ! nc3h7chco nc4h9chco nc5h11chco nc6h13chco nc7h15chco nc8h17chco ! ic3h7chco ch3chcho ch3chocho ic3h7coc2h3 ic3h6coc2h3 tc3h6coc2h3 ! ! ! alkenyl radicals ! c8h15 ! ! ! c5 and c6 2-methylalkyl radicals, alkenes, and alkenyl radicals ! formed by decomposition of larger 2-methylalkanes ! The names of these species do not follow the same convention as the ! C7 and greater 2-methylalkanes since these are part of the base mechanism ec6h13 !c6h13-2e dc6h13 !c6h13-2d dc6h12 !c6h12-4-2 cc6h12 !c6h12-3-2 ic6h11 !c6h11-1-2 ac5h11 !c5h11-2a bc5h11 !c5h11-2b cc5h11 !c5h11-2c dc5h11 !c5h11-2d ac5h10 !c5h11-1-2 bc5h10 !c5h10-2-2 cc5h10 !c5h10-3-2 ic5h9 !c5h9-1-1 ! ! ! ! ! ! 2-methylhexane ! 2-methylhexane and its corresponding alkyl radicals; ! radical site denoted by letter c7h16-2 c7h15-2a c7h15-2b c7h15-2c c7h15-2d c7h15-2e c7h15-2f ! ! all 2-methylhexenes and its corresponding alkenyl radicals ! radical site denoted by letter c7h14-1-2 c7h14-2-2 c7h14-3-2 c7h14-4-2 c7h14-5-2 ! c7h13-1-2 !this species is a lump of the various c7h13-1-2 radicals below ! ! ! 2-methylhexane ro. species; radical site on the oxygen c7h15o-1-2 c7h15o-2-2 c7h15o-3-2 c7h15o-4-2 c7h15o-5-2 c7h15o-6-2 ! ! 2-methylhexane roo. species; radical site on the oxygen c7h15oo-1-2 c7h15oo-2-2 c7h15oo-3-2 c7h15oo-4-2 c7h15oo-5-2 c7h15oo-6-2 ! ! 2-methylhexane rooh species; no radical sites c7h15ooh-1-2 c7h15ooh-2-2 c7h15ooh-3-2 c7h15ooh-4-2 c7h15ooh-5-2 c7h15ooh-6-2 ! ! 2-methylhexane .qooh species; c7h14-1 is denoted as c7 ! a hyphen is not used to indicate ooh position ! radical site denoted by letter; ! includes transition state rings of 5, 6, 7, and 8 atoms ! c7ooh1-2a c7ooh1-2b c7ooh1-2c c7ooh1-2d c7ooh1-2e ! c7ooh2-2a c7ooh2-2c c7ooh2-2d c7ooh2-2e c7ooh2-2f ! c7ooh3-2a c7ooh3-2b c7ooh3-2d c7ooh3-2e c7ooh3-2f ! c7ooh4-2a c7ooh4-2b c7ooh4-2c c7ooh4-2e c7ooh4-2f ! c7ooh5-2a c7ooh5-2b c7ooh5-2c c7ooh5-2d c7ooh5-2f ! c7ooh6-2b c7ooh6-2c c7ooh6-2d c7ooh6-2e ! ! 2-methylhexane .ooqooh species; c7h14-1 is denoted as c7 ! a hyphen is not used to indicate ooh position ! a hyphen is not used to indicate oo position ! radical site on the oxygen in o2 c7ooh1-oo1-2 c7ooh1-oo2-2 c7ooh1-oo3-2 c7ooh1-oo4-2 c7ooh1-oo5-2 ! c7ooh2-oo1-2 c7ooh2-oo3-2 c7ooh2-oo4-2 c7ooh2-oo5-2 c7ooh2-oo6-2 ! c7ooh3-oo1-2 c7ooh3-oo2-2 c7ooh3-oo4-2 c7ooh3-oo5-2 c7ooh3-oo6-2 ! c7ooh4-oo1-2 c7ooh4-oo2-2 c7ooh4-oo3-2 c7ooh4-oo5-2 c7ooh4-oo6-2 ! c7ooh5-oo1-2 c7ooh5-oo2-2 c7ooh5-oo3-2 c7ooh5-oo4-2 c7ooh5-oo6-2 ! c7ooh6-oo2-2 c7ooh6-oo3-2 c7ooh6-oo4-2 c7ooh6-oo5-2 ! ! 2-methylhexane cyclic ether species; no radical sites c7h14o1-1-2 c7h14o1-2-2 c7h14o1-3-2 c7h14o1-4-2 c7h14o1-5-2 ! c7h14o2-3-2 c7h14o2-4-2 c7h14o2-5-2 c7h14o2-6-2 ! c7h14o3-4-2 c7h14o3-5-2 c7h14o3-6-2 ! c7h14o4-5-2 c7h14o4-6-2 ! c7h14o5-6-2 ! ! 2-methylhexane keto-hydroperoxide (ket) species; c7h14-1 is denoted as c7 ! there are no radical sites ! (1st number is ketene group; 2nd number is ooh group) ! c7ket1-1-2 c7ket1-2-2 c7ket1-3-2 c7ket1-4-2 c7ket1-5-2 ! c7ket3-1-2 c7ket3-2-2 c7ket3-4-2 c7ket3-5-2 c7ket3-6-2 ! c7ket4-1-2 c7ket4-2-2 c7ket4-3-2 c7ket4-5-2 c7ket4-6-2 ! c7ket5-1-2 c7ket5-2-2 c7ket5-3-2 c7ket5-4-2 c7ket5-6-2 ! c7ket6-2-2 c7ket6-3-2 c7ket6-4-2 c7ket6-5-2 ! ! ! ! ! ! ! 2-methylheptane ! 2-methylheptane and its corresponding alkyl radicals; ! radical site denoted by letter c8h18-2 c8h17-2a c8h17-2b c8h17-2c c8h17-2d c8h17-2e c8h17-2f c8h17-2g ! ! all 2-methylheptenes and its corresponding alkenyl radicals ! radical site denoted by letter c8h16-1-2 c8h16-2-2 c8h16-3-2 c8h16-4-2 c8h16-5-2 c8h16-6-2 ! c8h15-1-2 !this species is a lump of the various c8h15-1-2 radicals below ! ! ! 2-methylheptane ro. species; radical site on the oxygen c8h17o-1-2 c8h17o-2-2 c8h17o-3-2 c8h17o-4-2 c8h17o-5-2 c8h17o-6-2 c8h17o-7-2 ! ! 2-methylheptane roo. species; radical site on the oxygen c8h17oo-1-2 c8h17oo-2-2 c8h17oo-3-2 c8h17oo-4-2 c8h17oo-5-2 c8h17oo-6-2 c8h17oo-7-2 ! ! 2-methylheptane rooh species; no radical sites c8h17ooh-1-2 c8h17ooh-2-2 c8h17ooh-3-2 c8h17ooh-4-2 c8h17ooh-5-2 c8h17ooh-6-2 c8h17ooh-7-2 ! ! 2-methylheptane .qooh species; c8h16-1denoted as c8 ! a hyphen is not used to indicate ooh position ! radical site denoted by letter; ! includes transition state rings of 5, 6, 7, and 8 atoms c8ooh1-2a c8ooh1-2b c8ooh1-2c c8ooh1-2d c8ooh1-2e ! c8ooh2-2a c8ooh2-2c c8ooh2-2d c8ooh2-2e c8ooh2-2f ! c8ooh3-2a c8ooh3-2b c8ooh3-2d c8ooh3-2e c8ooh3-2f c8ooh3-2g ! c8ooh4-2a c8ooh4-2b c8ooh4-2c c8ooh4-2e c8ooh4-2f c8ooh4-2g ! c8ooh5-2a c8ooh5-2b c8ooh5-2c c8ooh5-2d c8ooh5-2f c8ooh5-2g ! c8ooh6-2b c8ooh6-2c c8ooh6-2d c8ooh6-2e c8ooh6-2g ! c8ooh7-2c c8ooh7-2d c8ooh7-2e c8ooh7-2f ! ! 2-methylheptane .ooqooh species; c8h16-1denoted as c8 ! a hyphen is not used to indicate ooh position ! a hyphen is not used to indicate oo position ! radical site on the oxygen in o2 c8ooh1-oo1-2 c8ooh1-oo2-2 c8ooh1-oo3-2 c8ooh1-oo4-2 c8ooh1-oo5-2 ! c8ooh2-oo1-2 c8ooh2-oo3-2 c8ooh2-oo4-2 c8ooh2-oo5-2 c8ooh2-oo6-2 ! c8ooh3-oo1-2 c8ooh3-oo2-2 c8ooh3-oo4-2 c8ooh3-oo5-2 c8ooh3-oo6-2 c8ooh3-oo7-2 ! c8ooh4-oo1-2 c8ooh4-oo2-2 c8ooh4-oo3-2 c8ooh4-oo5-2 c8ooh4-oo6-2 c8ooh4-oo7-2 ! c8ooh5-oo1-2 c8ooh5-oo2-2 c8ooh5-oo3-2 c8ooh5-oo4-2 c8ooh5-oo6-2 c8ooh5-oo7-2 ! c8ooh6-oo2-2 c8ooh6-oo3-2 c8ooh6-oo4-2 c8ooh6-oo5-2 c8ooh6-oo7-2 ! c8ooh7-oo3-2 c8ooh7-oo4-2 c8ooh7-oo5-2 c8ooh7-oo6-2 ! ! 2-methylheptane cyclic ether species; no radical sites c8h16o1-1-2 c8h16o1-2-2 c8h16o1-3-2 c8h16o1-4-2 c8h16o1-5-2 ! c8h16o2-3-2 c8h16o2-4-2 c8h16o2-5-2 c8h16o2-6-2 ! c8h16o3-4-2 c8h16o3-5-2 c8h16o3-6-2 c8h16o3-7-2 ! c8h16o4-5-2 c8h16o4-6-2 c8h16o4-7-2 ! c8h16o5-6-2 c8h16o5-7-2 ! c8h16o6-7-2 ! ! 2-methylheptane keto-hydroperoxide (ket) species; c8h16-1denoted as c8 ! there are no radical sites ! (1st number is ketene group; 2nd number is ooh group) ! c8ket1-1-2 c8ket1-2-2 c8ket1-3-2 c8ket1-4-2 c8ket1-5-2 ! c8ket3-1-2 c8ket3-2-2 c8ket3-4-2 c8ket3-5-2 c8ket3-6-2 c8ket3-7-2 ! c8ket4-1-2 c8ket4-2-2 c8ket4-3-2 c8ket4-5-2 c8ket4-6-2 c8ket4-7-2 ! c8ket5-1-2 c8ket5-2-2 c8ket5-3-2 c8ket5-4-2 c8ket5-6-2 c8ket5-7-2 ! c8ket6-2-2 c8ket6-3-2 c8ket6-4-2 c8ket6-5-2 c8ket6-7-2 ! c8ket7-3-2 c8ket7-4-2 c8ket7-5-2 c8ket7-6-2 ! ! ! ! ! ! end reactions h + o2<=>o + oh 3.547e+15 -0.406 1.660e+04 rev/ 1.027e+13 -0.015 -1.330e+02 / o+h2<=>h + oh 5.080e+04 2.670 6.292e+03 rev/ 2.637e+04 2.651 4.880e+03 / oh+h2<=>h+h2o 2.160e+08 1.510 3.430e+03 rev/ 2.290e+09 1.404 1.832e+04 / o+h2o<=>oh + oh 2.970e+06 2.020 1.340e+04 rev/ 1.454e+05 2.107 -2.904e+03 / h2+m<=>h+h+m 4.577e+19 -1.400 1.044e+05 rev/ 1.145e+20 -1.676 8.200e+02 / h2/2.5/ h2o/12/ co/1.9/ co2/3.8/ o2+m<=>o+o+m 4.420e+17 -0.634 1.189e+05 rev/ 6.165e+15 -0.500 0.000e+00 / h2/2.5/ h2o/12/ ar/.83/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ he/.83/ oh+m<=>o+h+m 9.780e+17 -0.743 1.021e+05 rev/ 4.714e+18 -1.000 0.000e+00 / h2/2.5/ h2o/12/ ar/.75/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.75/ h2o+m<=>h + oh+m 1.907e+23 -1.830 1.185e+05 rev/ 4.500e+22 -2.000 0.000e+00 / h2/.73/ h2o/12/ ar/.38/ ch4/2/ c2h6/3/ he/.38/ h + o2(+m)<=>ho2(+m) 1.475e+12 0.600 0.000e+00 !rev/ 3.091e+12 0.528 4.887e+04 / low / 3.4820e+16 -4.1100e-01 -1.1150e+03 / troe / 5.0000e-01 1.0000e-30 1.0000e+30 1.0000e+10 / !troe fall-off reaction h2/1.3/ h2o/14/ ar/.67/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ he/.67/ ho2+h<=>h2 + o2 1.660e+13 0.000 8.230e+02 rev/ 3.166e+12 0.348 5.551e+04 / ho2+h<=>oh + oh 7.079e+13 0.000 2.950e+02 rev/ 2.028e+10 0.720 3.684e+04 / ho2+o<=>oh + o2 3.250e+13 0.000 0.000e+00 rev/ 3.217e+12 0.329 5.328e+04 / ho2 + oh<=>h2o + o2 1.973e+10 0.962 -3.284e+02 rev/ 3.989e+10 1.204 6.925e+04 / h2o2 + o2<=>ho2+ho2 1.136e+16 -0.347 4.973e+04 rev/ 1.030e+14 0.000 1.104e+04 / dup h2o2 + o2<=>ho2+ho2 2.141e+13 -0.347 3.728e+04 rev/ 1.940e+11 0.000 -1.409e+03 / dup h2o2(+m)<=>oh + oh(+m) 2.951e+14 0.000 4.843e+04 !rev/ 3.656e+08 1.140 -2.584e+03 / low / 1.2020e+17 0.0000e+00 4.5500e+04 / troe / 5.0000e-01 1.0000e-30 1.0000e+30 1.0000e+10 / !troe fall-off reaction h2/2.5/ h2o/12/ ar/.64/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ he/.64/ h2o2+h<=>h2o + oh 2.410e+13 0.000 3.970e+03 rev/ 1.265e+08 1.310 7.141e+04 / h2o2+h<=>h2+ho2 2.150e+10 1.000 6.000e+03 rev/ 3.716e+07 1.695 2.200e+04 / h2o2+o<=>oh+ho2 9.550e+06 2.000 3.970e+03 rev/ 8.568e+03 2.676 1.856e+04 / h2o2 + oh<=>h2o+ho2 2.000e+12 0.000 4.272e+02 rev/ 3.665e+10 0.589 3.132e+04 / dup h2o2 + oh<=>h2o+ho2 1.700e+18 0.000 2.941e+04 rev/ 3.115e+16 0.589 6.030e+04 / dup co+o(+m)<=>co2(+m) 1.800e+10 0.000 2.384e+03 !rev/ 9.874e+15 -0.934 1.300e+05 / low / 1.3500e+24 -2.7880e+00 4.1910e+03 / !lindemann fall-off reaction h2/2/ o2/6/ h2o/6/ ar/.5/ co/1.5/ co2/3.5/ ch4/2/ c2h6/3/ he/.5/ co + o2<=>co2+o 1.050e+12 0.000 4.254e+04 rev/ 8.035e+15 -0.800 5.123e+04 / co + oh<=>co2+h 2.230e+05 1.890 -1.158e+03 rev/ 5.896e+11 0.699 2.426e+04 / co+ho2<=>co2 + oh 3.010e+13 0.000 2.300e+04 rev/ 2.280e+16 -0.470 8.497e+04 / hco+m<=>h+co+m 4.750e+11 0.660 1.487e+04 rev/ 3.582e+10 1.041 -4.573e+02 / h2/2/ h2o/12/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ hco + o2<=>co+ho2 7.580e+12 0.000 4.100e+02 rev/ 1.198e+12 0.309 3.395e+04 / hco+h<=>co+h2 7.340e+13 0.000 0.000e+00 rev/ 2.212e+12 0.656 8.823e+04 / hco+o<=>co + oh 3.020e+13 0.000 0.000e+00 rev/ 4.725e+11 0.638 8.682e+04 / hco+o<=>co2+h 3.000e+13 0.000 0.000e+00 rev/ 1.241e+18 -0.553 1.122e+05 / hco + oh<=>co+h2o 1.020e+14 0.000 0.000e+00 rev/ 3.259e+13 0.551 1.031e+05 / hco+ch3<=>ch4+co 2.650e+13 0.000 0.000e+00 rev/ 7.286e+14 0.211 8.977e+04 / hco+ho2<=>ch2o + o2 2.499e+14 -0.061 1.392e+04 rev/ 8.070e+15 0.000 5.342e+04 / hco+ho2<=>co2+h + oh 3.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / o2cho<=>hco + o2 9.959e+15 -1.126 4.100e+04 rev/ 1.200e+11 0.000 -1.100e+03 / ch2o + o2cho<=>hco+ho2cho 1.990e+12 0.000 1.166e+04 rev/ 3.908e+14 -0.909 1.181e+04 / ho2cho<=>ocho + oh 5.010e+14 0.000 4.015e+04 rev/ 1.0e13 0.0 0.0 /!wjp estimate. rev/ 3.856e+08 1.532 -6.372e+03 / ocho+m<=>h+co2+m 5.318e+14 -0.353 1.758e+04 rev/ 7.500e+13 0.000 2.900e+04 / ch2o+co<=>hco+hco 9.186e+13 0.370 7.304e+04 rev/ 1.800e+13 0.000 0.000e+00 / hco+hco<=>h2+co+co 3.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / hco+h(+m)<=>ch2o(+m) 1.090e+12 0.480 -2.600e+02 !rev/ 7.377e+13 0.469 8.811e+04 / low / 1.3500e+24 -2.5700e+00 1.4250e+03 / troe / 7.8240e-01 2.7100e+02 2.7550e+03 6.5700e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ co+h2(+m)<=>ch2o(+m) 4.300e+07 1.500 7.960e+04 !rev/ 9.656e+10 0.833 7.974e+04 / low / 5.0700e+27 -3.4200e+00 8.4348e+04 / troe / 9.3200e-01 1.9700e+02 1.5400e+03 1.0300e+04 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ ch2o + oh<=>hco+h2o 7.820e+07 1.630 -1.055e+03 rev/ 4.896e+06 1.811 2.903e+04 / ch2o+h<=>hco+h2 5.740e+07 1.900 2.740e+03 rev/ 3.390e+05 2.187 1.793e+04 / ch2o+o<=>hco + oh 6.260e+09 1.150 2.260e+03 rev/ 1.919e+07 1.418 1.604e+04 / ch2o+ch3<=>hco+ch4 3.830e+01 3.360 4.312e+03 rev/ 2.063e+02 3.201 2.104e+04 / ch2o+ho2<=>hco+h2o2 7.100e-03 4.517 6.580e+03 rev/ 2.426e-02 4.108 5.769e+03 / hoch2o<=>ch2o + oh 2.056e+21 -2.336 2.573e+04 rev/ 4.500e+15 -1.100 0.000e+00 / hoch2o<=>hocho+h 1.000e+14 0.000 1.490e+04 rev/ 1.123e+15 -0.295 1.150e+04 / hocho<=>co+h2o 2.450e+12 0.000 6.047e+04 rev/ 2.255e+03 2.093 5.289e+04 / hocho<=>co2+h2 2.950e+09 0.000 4.852e+04 rev/ 6.772e+05 1.008 5.147e+04 / hocho<=>hco + oh 3.471e+22 -1.542 1.107e+05 rev/ 1.000e+14 0.000 0.000e+00 / hocho + o2<=>ocho+ho2 4.101e+12 -0.308 5.988e+04 rev/ 3.500e+10 0.000 -3.275e+03 / hocho + oh<=>h2o+co2+h 2.620e+06 2.060 9.160e+02 rev/ 0.000e+00 0.000 0.000e+00 / hocho + oh<=>h2o+co + oh 1.850e+07 1.510 -9.620e+02 rev/ 0.000e+00 0.000 0.000e+00 / hocho+h=>h2+co2+h 4.240e+06 2.100 4.868e+03 ! wjp: fwd only. !rev/ 0.000e+00 0.000 0.000e+00 / hocho+h<=>h2+co + oh 6.030e+13 -0.350 2.988e+03 rev/ 0.000e+00 0.000 0.000e+00 / hocho+ch3<=>ch4+co + oh 3.900e-07 5.800 2.200e+03 rev/ 0.000e+00 0.000 0.000e+00 / hocho+ho2<=>ocho+h2o2 2.549e+12 0.040 3.447e+04 rev/ 2.400e+12 0.000 1.000e+04 / hocho+ho2=>h2o2+co + oh 1.000e+12 0.000 1.192e+04 ! wjp: fwd only. !rev/ 0.000e+00 0.000 0.000e+00 / hocho+o=>co + oh + oh 1.770e+18 -1.900 2.975e+03 ! wjp: fwd only. !rev/ 0.000e+00 0.000 0.000e+00 / hocho+hco<=>ch2o+ocho 8.584e+11 0.040 2.675e+04 rev/ 5.600e+12 0.000 1.360e+04 / ch3o(+m)<=>ch2o+h(+m) 6.800e+13 0.000 2.617e+04 !rev/ 1.049e+12 0.388 3.878e+03 / low / 1.8670e+25 -3.0000e+00 2.4307e+04 / troe / 9.0000e-01 2.5000e+03 1.3000e+03 1.0000e+99 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ ch3o + o2<=>ch2o+ho2 4.380e-19 9.500 -5.501e+03 rev/ 1.416e-20 9.816 2.108e+04 / ch2o+ch3o<=>ch3oh+hco 6.620e+11 0.000 2.294e+03 rev/ 8.393e+10 0.074 1.771e+04 / ch4+ch3o<=>ch3+ch3oh 6.119e+02 2.867 8.248e+03 rev/ 1.440e+01 3.100 6.935e+03 / ch3o+ch3<=>ch2o+ch4 1.200e+13 0.000 0.000e+00 rev/ 6.749e+13 0.218 8.281e+04 / ch3o+h<=>ch2o+h2 2.000e+13 0.000 0.000e+00 rev/ 1.233e+11 0.664 8.127e+04 / ch3o+ho2<=>ch2o+h2o2 3.010e+11 0.000 0.000e+00 rev/ 1.074e+12 -0.031 6.527e+04 / ch2o+h(+m)<=>ch2oh(+m) 5.400e+11 0.454 3.600e+03 !rev/ 8.653e+12 -0.038 3.241e+04 / low / 1.2700e+32 -4.8200e+00 6.5300e+03 / troe / 7.1870e-01 1.0300e+02 1.2910e+03 4.1600e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ ch2oh + o2<=>ch2o+ho2 1.510e+15 -1.000 0.000e+00 rev/ 1.975e+14 -0.580 2.006e+04 / dup ch2oh + o2<=>ch2o+ho2 2.410e+14 0.000 5.017e+03 rev/ 3.152e+13 0.420 2.508e+04 / dup ch2oh+h<=>ch2o+h2 6.000e+12 0.000 0.000e+00 rev/ 1.497e+11 0.768 7.475e+04 / ch2oh+ho2<=>ch2o+h2o2 1.200e+13 0.000 0.000e+00 rev/ 1.732e+14 0.073 5.875e+04 / ch2oh+hco<=>ch2o+ch2o 1.800e+14 0.000 0.000e+00 rev/ 7.602e+14 0.481 5.956e+04 / ch2oh+ch3o<=>ch2o+ch3oh 2.400e+13 0.000 0.000e+00 rev/ 1.285e+13 0.555 7.498e+04 / ch2oh+ch2o<=>ch3oh+hco 1.878e+04 2.722 4.208e+03 rev/ 9.630e+03 2.900 1.311e+04 / oh+ch2oh<=>h2o+ch2o 2.400e+13 0.000 0.000e+00 rev/ 6.347e+12 0.662 8.964e+04 / o+ch2oh<=>oh+ch2o 4.200e+13 0.000 0.000e+00 rev/ 5.438e+11 0.749 7.334e+04 / ch2o+ch3oh<=>ch2oh+ch2oh 6.498e+12 0.659 6.846e+04 rev/ 3.000e+12 0.000 0.000e+00 / ch2oh+ho2<=>hoch2o + oh 1.000e+13 0.000 0.000e+00 rev/ 8.169e+13 -0.024 3.347e+04 / och2o2h<=>ch2o+ho2 1.278e+18 -1.800 1.046e+04 rev/ 1.500e+11 0.000 1.190e+04 / och2o2h<=>hoch2o2 3.000e+11 0.000 8.600e+03 rev/ 4.241e+08 0.950 2.620e+04 / hoch2o2+ho2<=>hoch2o2h + o2 3.500e+10 0.000 -3.275e+03 rev/ 1.046e+14 -0.840 3.487e+04 / hoch2o2h<=>hoch2o + oh 1.023e+21 -1.920 4.249e+04 rev/ 1.000e+13 0.000 0.000e+00 / ch3oh(+m)<=>ch3 + oh(+m) 1.900e+16 0.000 9.173e+04 !rev/ 1.025e+11 0.779 -7.520e+02 / low / 2.9500e+44 -7.3500e+00 9.5460e+04 / troe / 4.1400e-01 2.7900e+02 5.4590e+03 1.0000e+10 / !troe fall-off reaction ch3oh(+m)<=>ch2oh+h(+m) 2.690e+16 -0.080 9.894e+04 !rev/ 7.749e+14 -0.247 1.668e+03 / low / 2.3400e+40 -6.3300e+00 1.0310e+05 / troe / 7.7300e-01 6.9300e+02 5.3330e+03 1.0000e+10 / !troe fall-off reaction ch3oh+h<=>ch3o+h2 3.600e+12 0.000 6.095e+03 rev/ 1.677e+11 0.212 5.868e+03 / ch3oh+h<=>ch2oh+h2 1.204e+06 2.400 2.583e+03 rev/ 1.386e+04 2.509 8.871e+03 / ch3oh+o<=>ch2oh + oh 3.880e+05 2.500 3.080e+03 rev/ 2.319e+03 2.590 7.956e+03 / ch3oh + oh<=>ch3o+h2o 5.130e+05 2.130 2.450e+03 rev/ 2.534e+05 2.237 1.712e+04 / ch3oh + oh<=>ch2oh+h2o 1.440e+06 2.000 -8.390e+02 rev/ 1.758e+05 2.003 2.034e+04 / ch3oh + o2<=>ch2oh+ho2 2.050e+13 0.000 4.490e+04 rev/ 1.238e+12 -0.239 -3.501e+03 / ch3oh+ho2<=>ch2oh+h2o2 1.080e+04 2.550 1.053e+04 rev/ 7.195e+04 1.963 8.190e+02 / ch3oh+ch3<=>ch2oh+ch4 3.190e+01 3.170 7.172e+03 rev/ 3.351e+02 2.833 1.500e+04 / ch3o+ch3oh<=>ch2oh+ch3oh 3.000e+11 0.000 4.074e+03 rev/ 7.416e+10 -0.104 1.059e+04 / ch3oh+ch2o<=>ch3o+ch3o 7.981e+12 0.452 8.149e+04 rev/ 6.030e+13 0.000 0.000e+00 / ch3+h(+m)<=>ch4(+m) 1.270e+16 -0.600 3.830e+02 !rev/ 4.631e+18 -0.770 1.055e+05 / low / 2.4770e+33 -4.7600e+00 2.4440e+03 / troe / 7.8300e-01 7.4000e+01 2.9400e+03 6.9600e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ ch4+h<=>ch3+h2 6.140e+05 2.500 9.587e+03 rev/ 6.730e+02 2.946 8.047e+03 / ch4 + oh<=>ch3+h2o 5.830e+04 2.600 2.190e+03 rev/ 6.776e+02 2.940 1.554e+04 / ch4+o<=>ch3 + oh 1.020e+09 1.500 8.600e+03 rev/ 5.804e+05 1.927 5.648e+03 / ch4+ho2<=>ch3+h2o2 1.130e+01 3.740 2.101e+04 rev/ 7.166e+00 3.491 3.468e+03 / ch4+ch2<=>ch3+ch3 2.460e+06 2.000 8.270e+03 rev/ 1.736e+06 1.868 1.298e+04 / ch3 + oh<=>ch2o+h2 8.000e+09 0.500 -1.755e+03 rev/ 1.066e+12 0.322 6.821e+04 / ch3 + oh<=>ch2(s)+h2o 4.508e+17 -1.340 1.417e+03 rev/ 1.654e+16 -0.855 1.039e+03 / ch3 + oh<=>ch3o+h 6.943e+07 1.343 1.120e+04 rev/ 1.500e+12 0.500 -1.100e+02 / ch3 + oh<=>ch2oh+h 3.090e+07 1.596 4.506e+03 rev/ 1.650e+11 0.650 -2.840e+02 / ch3 + oh<=>ch2+h2o 5.600e+07 1.600 5.420e+03 rev/ 9.224e+05 2.072 1.406e+04 / ch3+ho2<=>ch3o + oh 1.000e+12 0.269 -6.875e+02 rev/ 6.190e+12 0.147 2.455e+04 / ch3+ho2<=>ch4 + o2 1.160e+05 2.230 -3.022e+03 rev/ 2.018e+07 2.132 5.321e+04 / ch3+o<=>ch2o+h 5.540e+13 0.050 -1.360e+02 rev/ 3.830e+15 -0.147 6.841e+04 / ch3 + o2<=>ch3o+o 7.546e+12 0.000 2.832e+04 rev/ 4.718e+14 -0.451 2.880e+02 / ch3 + o2<=>ch2o + oh 2.641e+00 3.283 8.105e+03 rev/ 5.285e-01 3.477 5.992e+04 / ch3 + o2(+m)<=>ch3o2(+m) 7.812e+09 0.900 0.000e+00 !rev/ 5.655e+15 -0.313 3.333e+04 / low / 6.8500e+24 -3.0000e+00 0.0000e+00 / troe / 6.0000e-01 1.0000e+03 7.0000e+01 1.7000e+03 / !troe fall-off reaction ch3o2+ch2o<=>ch3o2h+hco 1.990e+12 0.000 1.166e+04 rev/ 1.323e+14 -0.853 9.259e+03 / ch4+ch3o2<=>ch3+ch3o2h 1.810e+11 0.000 1.848e+04 rev/ 2.233e+12 -0.694 -6.550e+02 / ch3oh+ch3o2<=>ch2oh+ch3o2h 1.810e+12 0.000 1.371e+04 rev/ 2.346e+14 -1.031 2.404e+03 / ch3o2+ch3<=>ch3o+ch3o 5.080e+12 0.000 -1.411e+03 rev/ 1.967e+12 0.176 2.807e+04 / ch3o2+ho2<=>ch3o2h + o2 2.470e+11 0.000 -1.570e+03 rev/ 5.302e+14 -0.792 3.552e+04 / ch3o2+ch3o2<=>ch2o+ch3oh + o2 3.110e+14 -1.610 -1.051e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch3o2+ch3o2<=>o2+ch3o+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch3o2+h<=>ch3o + oh 9.600e+13 0.000 0.000e+00 rev/ 1.720e+09 1.019 4.078e+04 / ch3o2+o<=>ch3o + o2 3.600e+13 0.000 0.000e+00 rev/ 2.229e+11 0.628 5.752e+04 / ch3o2 + oh<=>ch3oh + o2 6.000e+13 0.000 0.000e+00 rev/ 1.536e+13 0.434 5.916e+04 / ch3o2h<=>ch3o + oh 6.310e+14 0.000 4.230e+04 rev/ 2.514e+06 1.883 -2.875e+03 / !Based on GRI mech and JetSurf reaction should have an "M" in it: WJP ch2(s)+m<=>ch2+m 1.000e+13 0.000 0.000e+00 !ch2(s)<=>ch2 1.000e+13 0.000 0.000e+00 rev/ 4.488e+12 -0.013 9.020e+03 / ch2(s)+ch4<=>ch3+ch3 1.600e+13 0.000 -5.700e+02 rev/ 5.067e+12 -0.145 1.316e+04 / ch2(s) + o2<=>co + oh+h 7.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch2(s)+h2<=>ch3+h 7.000e+13 0.000 0.000e+00 rev/ 2.022e+16 -0.591 1.527e+04 / ch2(s)+h<=>ch2+h 3.000e+13 0.000 0.000e+00 rev/ 1.346e+13 -0.013 9.020e+03 / ch2(s)+h<=>ch+h2 3.000e+13 0.000 0.000e+00 rev/ 6.948e+13 -0.253 1.248e+04 / ch2(s)+o<=>co+h+h 3.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch2(s) + oh<=>ch2o+h 3.000e+13 0.000 0.000e+00 rev/ 1.154e+18 -0.770 8.523e+04 / ch2(s)+co2<=>ch2o+co 3.000e+12 0.000 0.000e+00 rev/ 4.366e+10 0.421 5.981e+04 / ch2+h(+m)<=>ch3(+m) 2.500e+16 -0.800 0.000e+00 !rev/ 6.432e+18 -1.103 1.098e+05 / low / 3.2000e+27 -3.1400e+00 1.2300e+03 / troe / 6.8000e-01 7.8000e+01 1.9950e+03 5.5900e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ ch2 + o2<=>ch2o+o 2.400e+12 0.000 1.500e+03 rev/ 5.955e+14 -0.365 6.098e+04 / ch2 + o2<=>co2+h+h 5.800e+12 0.000 1.500e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch2 + o2<=>co + oh+h 5.000e+12 0.000 1.500e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch2+o<=>co+h+h 5.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch2+h<=>ch+h2 1.000e+18 -1.560 0.000e+00 rev/ 5.160e+18 -1.800 3.460e+03 / dup ch2 + oh<=>ch+h2o 1.130e+07 2.000 3.000e+03 rev/ 6.183e+08 1.655 2.135e+04 / ch + o2<=>hco+o 3.300e+13 0.000 0.000e+00 rev/ 9.371e+12 0.161 7.121e+04 / c + oh<=>co+h 5.000e+13 0.000 0.000e+00 rev/ 1.356e+15 0.000 1.543e+05 / c + o2<=>co+o 5.000e+13 0.000 0.000e+00 rev/ 1.070e+14 0.000 1.382e+05 / ch+h<=>c+h2 5.000e+13 0.000 0.000e+00 rev/ 2.043e+14 0.000 2.382e+04 / ch+o<=>co+h 5.700e+13 0.000 0.000e+00 rev/ 2.774e+15 0.000 1.760e+05 / ch + oh<=>hco+h 3.000e+13 0.000 0.000e+00 rev/ 5.069e+14 0.000 8.811e+04 / ch2+h<=>ch+h2 2.700e+11 0.670 2.570e+04 rev/ 1.897e+11 0.670 2.873e+04 / dup ch+h2o<=>h+ch2o 1.713e+13 0.000 -7.550e+02 rev/ 8.372e+14 0.000 5.752e+04 / ch+co2<=>hco+co 1.700e+12 0.000 6.850e+02 rev/ 2.565e+11 0.000 6.646e+04 / ch3+ch3(+m)<=>c2h6(+m) 9.214e+16 -1.170 6.358e+02 !rev/ 1.904e+25 -2.604 9.168e+04 / low / 1.1350e+36 -5.2460e+00 1.7050e+03 / troe / 4.0500e-01 1.1200e+03 6.9600e+01 1.0000e+10 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h5+h(+m)<=>c2h6(+m) 5.210e+17 -0.990 1.580e+03 !rev/ 2.254e+21 -1.396 1.029e+05 / low / 1.9900e+41 -7.0800e+00 6.6850e+03 / troe / 8.4200e-01 1.2500e+02 2.2190e+03 6.8820e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h6+h<=>c2h5+h2 1.150e+08 1.900 7.530e+03 rev/ 1.062e+04 2.582 9.760e+03 / c2h6+o<=>c2h5 + oh 3.550e+06 2.400 5.830e+03 rev/ 1.702e+02 3.063 6.648e+03 / c2h6 + oh<=>c2h5+h2o 1.480e+07 1.900 9.500e+02 rev/ 1.450e+04 2.476 1.807e+04 / c2h6 + o2<=>c2h5+ho2 6.030e+13 0.000 5.187e+04 rev/ 2.921e+10 0.334 -5.930e+02 / c2h6+ch3<=>c2h5+ch4 1.510e-07 6.000 6.047e+03 rev/ 1.273e-08 6.236 9.817e+03 / c2h6+ho2<=>c2h5+h2o2 3.460e+01 3.610 1.692e+04 rev/ 1.849e+00 3.597 3.151e+03 / c2h6+ch3o2<=>c2h5+ch3o2h 1.940e+01 3.640 1.710e+04 rev/ 2.017e+01 3.182 1.734e+03 / c2h6+ch3o<=>c2h5+ch3oh 2.410e+11 0.000 7.090e+03 rev/ 4.779e+08 0.469 9.547e+03 / c2h6+ch<=>c2h5+ch2 1.100e+14 0.000 -2.600e+02 rev/ 1.969e+09 0.921 -1.490e+03 / ch2(s)+c2h6<=>ch3+c2h5 1.200e+14 0.000 0.000e+00 rev/ 3.203e+12 0.091 1.750e+04 / c2h4+h(+m)<=>c2h5(+m) 1.081e+12 0.454 1.822e+03 !rev/ 1.946e+12 0.334 3.731e+04 / low / 1.2000e+42 -7.6200e+00 6.9700e+03 / troe / 9.7500e-01 2.1000e+02 9.8400e+02 4.3740e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ h2+ch3o2<=>h+ch3o2h 1.500e+14 0.000 2.603e+04 rev/ 1.688e+18 -1.140 8.434e+03 / h2+c2h5o2<=>h+c2h5o2h 1.500e+14 0.000 2.603e+04 rev/ 1.691e+18 -1.140 8.438e+03 / c2h5+c2h3<=>c2h4+c2h4 6.859e+11 0.110 -4.300e+03 rev/ 4.820e+14 0.000 7.153e+04 / ch3+c2h5<=>ch4+c2h4 1.180e+04 2.450 -2.921e+03 rev/ 2.390e+06 2.400 6.669e+04 / c2h5+h<=>ch3+ch3 9.690e+13 0.000 2.200e+02 rev/ 2.029e+09 1.028 1.051e+04 / c2h5+h<=>c2h4+h2 2.000e+12 0.000 0.000e+00 rev/ 4.440e+11 0.396 6.807e+04 / c2h5+o<=>ch3cho+h 1.100e+14 0.000 0.000e+00 rev/ 1.033e+17 -0.500 7.742e+04 / c2h5+ho2<=>c2h5o + oh 1.100e+13 0.000 0.000e+00 rev/ 9.680e+15 -0.723 2.765e+04 / ch3o2+c2h5<=>ch3o+c2h5o 8.000e+12 0.000 -1.000e+03 rev/ 4.404e+14 -0.425 3.089e+04 / c2h5o + o2<=>ch3cho+ho2 4.280e+10 0.000 1.097e+03 rev/ 1.322e+08 0.615 3.413e+04 / c2h5o<=>ch3+ch2o 1.321e+20 -2.018 2.075e+04 rev/ 3.000e+11 0.000 6.336e+03 / c2h5o<=>ch3cho+h 5.428e+15 -0.687 2.223e+04 rev/ 8.000e+12 0.000 6.400e+03 / c2h5o2<=>c2h5 + o2 1.312e+62 -14.784 4.918e+04 rev/ 2.876e+56 -13.820 1.462e+04 / c2h5o2+ch2o<=>c2h5o2h+hco 1.990e+12 0.000 1.166e+04 rev/ 1.325e+14 -0.853 9.263e+03 / ch4+c2h5o2<=>ch3+c2h5o2h 1.810e+11 0.000 1.848e+04 rev/ 2.237e+12 -0.694 -6.510e+02 / ch3oh+c2h5o2<=>ch2oh+c2h5o2h 1.810e+12 0.000 1.371e+04 rev/ 2.350e+14 -1.031 2.408e+03 / c2h5o2+ho2<=>c2h5o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.763e+13 -0.792 3.382e+04 / c2h6+c2h5o2<=>c2h5+c2h5o2h 8.600e+00 3.760 1.720e+04 rev/ 8.957e+00 3.302 1.838e+03 / c2h5o2h<=>c2h5o + oh 6.310e+14 0.000 4.230e+04 rev/ 5.661e+08 1.033 -1.705e+03 / c2h4o2h<=>c2h5 + o2 4.374e+47 -12.115 3.102e+04 rev/ 1.814e+45 -11.500 1.460e+04 / c2h5 + o2<=>c2h4+ho2 7.561e+14 -1.010 4.749e+03 rev/ 8.802e+14 -0.962 1.813e+04 / dup c2h5 + o2<=>c2h4+ho2 4.000e-01 3.880 1.362e+04 rev/ 4.656e-01 3.928 2.700e+04 / dup c2h5 + o2<=>c2h4o1-2 + oh 1.626e+11 -0.310 6.150e+03 rev/ 3.633e+13 -0.626 3.984e+04 / c2h5 + o2<=>ch3cho + oh 8.265e+02 2.410 5.285e+03 rev/ 2.247e+03 2.301 6.597e+04 / c2h5o2<=>c2h4o2h 2.276e+39 -8.479 4.517e+04 rev/ 1.203e+36 -8.130 2.702e+04 / c2h5o2<=>ch3cho + oh 2.520e+41 -10.200 4.371e+04 rev/ 1.502e+36 -9.345 6.984e+04 / c2h5o2<=>c2h4+ho2 1.815e+38 -8.450 3.789e+04 rev/ 4.632e+32 -7.438 1.670e+04 / c2h5o2<=>c2h4o1-2 + oh 4.000e+43 -10.460 4.558e+04 rev/ 1.959e+40 -9.812 4.471e+04 / c2h4o2h<=>c2h4o1-2 + oh 8.848e+30 -6.080 2.066e+04 rev/ 8.199e+30 -5.781 3.793e+04 / c2h4o2h<=>c2h4+ho2 3.980e+34 -7.250 2.325e+04 rev/ 1.922e+32 -6.587 2.021e+04 / c2h4o2h<=>ch3cho + oh 1.188e+34 -9.020 2.921e+04 rev/ 1.339e+32 -8.514 7.348e+04 / c2h4o1-2<=>ch3+hco 3.630e+13 0.000 5.720e+04 rev/ 1.006e+04 1.549 -2.750e+03 / c2h4o1-2<=>ch3cho 7.407e+12 0.000 5.380e+04 rev/ 9.013e+10 0.207 8.080e+04 / c2h4o1-2 + oh<=>c2h3o1-2+h2o 1.780e+13 0.000 3.610e+03 rev/ 1.347e+10 0.693 2.474e+04 / c2h4o1-2+h<=>c2h3o1-2+h2 8.000e+13 0.000 9.680e+03 rev/ 5.710e+09 0.799 1.592e+04 / c2h4o1-2+ho2<=>c2h3o1-2+h2o2 1.130e+13 0.000 3.043e+04 rev/ 4.666e+11 0.104 2.067e+04 / c2h4o1-2+ch3o2<=>c2h3o1-2+ch3o2h 1.130e+13 0.000 3.043e+04 rev/ 9.078e+12 -0.341 1.907e+04 / c2h4o1-2+c2h5o2<=>c2h3o1-2+c2h5o2h 1.130e+13 0.000 3.043e+04 rev/ 9.093e+12 -0.341 1.908e+04 / c2h4o1-2+ch3<=>c2h3o1-2+ch4 1.070e+12 0.000 1.183e+04 rev/ 6.967e+10 0.353 1.961e+04 / c2h4o1-2+ch3o<=>c2h3o1-2+ch3oh 1.200e+11 0.000 6.750e+03 rev/ 1.839e+08 0.586 1.322e+04 / c2h3o1-2<=>ch3co 8.500e+14 0.000 1.400e+04 rev/ 1.002e+14 0.041 4.871e+04 / c2h3o1-2<=>ch2cho 1.000e+14 0.000 1.400e+04 rev/ 1.245e+15 -0.375 4.401e+04 / ch3cho<=>ch3+hco 7.687e+20 -1.342 8.695e+04 rev/ 1.750e+13 0.000 0.000e+00 / ch3cho+h<=>ch3co+h2 2.370e+13 0.000 3.642e+03 rev/ 1.639e+10 0.633 1.760e+04 / ch3cho+o<=>ch3co + oh 5.940e+12 0.000 1.868e+03 rev/ 2.133e+09 0.614 1.441e+04 / ch3cho + oh<=>ch3co+h2o 3.370e+12 0.000 -6.190e+02 rev/ 2.472e+10 0.527 2.823e+04 / ch3cho + o2<=>ch3co+ho2 3.010e+13 0.000 3.915e+04 rev/ 1.092e+11 0.285 -1.588e+03 / ch3cho+ch3<=>ch3co+ch4 7.080e-04 4.580 1.966e+03 rev/ 4.468e-04 4.767 1.746e+04 / ch3cho+ho2<=>ch3co+h2o2 3.010e+12 0.000 1.192e+04 rev/ 1.205e+12 -0.062 9.877e+03 / ch3o2+ch3cho<=>ch3o2h+ch3co 3.010e+12 0.000 1.192e+04 rev/ 2.344e+13 -0.507 8.282e+03 / ch3cho+ch3co3<=>ch3co+ch3co3h 3.010e+12 0.000 1.192e+04 rev/ 1.922e+12 -0.010 1.265e+04 / ch3cho + oh<=>ch3+hocho 3.000e+15 -1.076 0.000e+00 rev/ 2.371e+16 -1.277 2.375e+04 / ch3cho + oh<=>ch2cho+h2o 1.720e+05 2.400 8.150e+02 rev/ 1.332e+05 2.511 2.495e+04 / ch3co(+m)<=>ch3+co(+m) 3.000e+12 0.000 1.672e+04 !rev/ 2.976e+06 1.365 4.049e+03 / low / 1.2000e+15 0.0000e+00 1.2518e+04 / !lindemann fall-off reaction ch3co+h<=>ch2co+h2 2.000e+13 0.000 0.000e+00 rev/ 1.037e+13 0.201 6.056e+04 / ch3co+o<=>ch2co + oh 2.000e+13 0.000 0.000e+00 rev/ 5.381e+12 0.182 5.914e+04 / ch3co+ch3<=>ch2co+ch4 5.000e+13 0.000 0.000e+00 rev/ 2.364e+16 -0.245 6.210e+04 / ch3co3<=>ch3co + o2 6.863e+19 -1.949 3.853e+04 rev/ 1.200e+11 0.000 -1.100e+03 / ch3co3+ho2<=>ch3co3h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.080e+12 -0.294 3.818e+04 / h2o2+ch3co3<=>ho2+ch3co3h 2.410e+12 0.000 9.936e+03 rev/ 3.845e+12 0.053 1.271e+04 / ch4+ch3co3<=>ch3+ch3co3h 1.810e+11 0.000 1.848e+04 rev/ 1.831e+11 -0.196 3.711e+03 / ch2o+ch3co3<=>hco+ch3co3h 1.990e+12 0.000 1.166e+04 rev/ 1.085e+13 -0.356 1.362e+04 / c2h6+ch3co3<=>c2h5+ch3co3h 1.700e+13 0.000 2.046e+04 rev/ 1.450e+12 0.040 9.460e+03 / ch3co3h<=>ch3co2 + oh 5.010e+14 0.000 4.015e+04 rev/ 3.618e+07 1.761 1.338e+03 / ch3co2+m<=>ch3+co2+m 4.400e+15 0.000 1.050e+04 rev/ 4.548e+08 1.378 1.752e+04 / ch2cho<=>ch2co+h 4.071e+15 -0.342 5.060e+04 rev/ 5.000e+13 0.000 1.230e+04 / ch2cho + o2<=>ch2o+co + oh 8.950e+13 -0.600 1.012e+04 rev/ 0.000e+00 0.000 0.000e+00 / ch2+co(+m)<=>ch2co(+m) 8.100e+11 0.000 0.000e+00 !rev/ 2.724e+20 -1.743 7.948e+04 / low / 2.6900e+33 -5.1100e+00 7.0950e+03 / troe / 5.9070e-01 2.7500e+02 1.2260e+03 5.1850e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ ch2co+h<=>ch3+co 1.100e+13 0.000 3.400e+03 rev/ 2.400e+12 0.000 4.020e+04 / ch2co+h<=>hcco+h2 2.000e+14 0.000 8.000e+03 rev/ 1.434e+11 0.470 4.520e+03 / ch2co+o<=>ch2+co2 1.750e+12 0.000 1.350e+03 rev/ 2.854e+09 0.809 4.944e+04 / ch2co+o<=>hcco + oh 1.000e+13 0.000 8.000e+03 rev/ 3.723e+09 0.452 3.108e+03 / ch2co + oh<=>hcco+h2o 1.000e+13 0.000 2.000e+03 rev/ 7.604e+10 0.365 1.341e+04 / ch2co + oh<=>ch2oh+co 2.000e+12 0.000 -1.010e+03 rev/ 8.170e+09 0.494 2.453e+04 / ch2(s)+ch2co<=>c2h4+co 1.600e+14 0.000 0.000e+00 rev/ 3.750e+14 0.217 1.034e+05 / hcco + oh<=>h2+co+co 1.000e+14 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / h+hcco<=>ch2(s)+co 1.100e+13 0.000 0.000e+00 rev/ 4.061e+07 1.561 1.854e+04 / hcco+o<=>h+co+co 8.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / hcco + o2<=>oh+co+co 4.200e+10 0.000 8.500e+02 rev/ 0.000e+00 0.000 0.000e+00 / hcco+m<=>ch+co+m 6.500e+15 0.000 5.882e+04 rev/ 7.6e22 -1.9 0.0 / !!! rev/ 1.391e+11 1.033 -1.372e+04 / !wjp: rev rate from thermo above collisional ch+ch2o<=>h+ch2co 9.460e+13 0.000 -5.150e+02 rev/ 1.623e+15 0.000 6.906e+04 / ch+hcco<=>co+c2h2 5.000e+13 0.000 0.000e+00 rev/ 1.721e+17 0.000 1.646e+05 / c2h3+h(+m)<=>c2h4(+m) 1.360e+14 0.173 6.600e+02 !rev/ 1.721e+17 -0.057 1.120e+05 / low / 1.4000e+30 -3.8600e+00 3.3200e+03 / troe / 7.8200e-01 2.0750e+02 2.6630e+03 6.0950e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h4(+m)<=>c2h2+h2(+m) 8.000e+12 0.440 8.877e+04 !rev/ 6.183e+09 0.923 4.669e+04 / low / 1.5800e+51 -9.3000e+00 9.7800e+04 / troe / 7.3500e-01 1.8000e+02 1.0350e+03 5.4170e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h4+h<=>c2h3+h2 5.070e+07 1.930 1.295e+04 rev/ 1.602e+04 2.436 5.190e+03 / c2h4+o<=>ch3+hco 8.564e+06 1.880 1.830e+02 rev/ 3.297e+02 2.602 2.614e+04 / c2h4+o<=>ch2cho+h 4.986e+06 1.880 1.830e+02 rev/ 1.541e+09 1.201 1.878e+04 / c2h4 + oh<=>c2h3+h2o 1.800e+06 2.000 2.500e+03 rev/ 6.029e+03 2.400 9.632e+03 / c2h4+ch3<=>c2h3+ch4 6.620e+00 3.700 9.500e+03 rev/ 1.908e+00 3.760 3.280e+03 / c2h4 + o2<=>c2h3+ho2 4.000e+13 0.000 5.820e+04 rev/ 2.0e+10 0.158 -4.249e+03 / ! wjp: kr from thermo too high at 300k. lowered to 3.e13 from http://kinetics.nist.gov/kinetics/detail?id=1986tsa/ham1087:195 !rev/ 6.626e+10 0.158 -4.249e+03 / c2h4+ch3o<=>c2h3+ch3oh 1.200e+11 0.000 6.750e+03 !rev/ 8.138e+08 0.293 -7.830e+02 / !c2h4+ch3o2<=>c2h3+ch3o2h 2.230e+12 0.000 1.719e+04 !rev/ 7.929e+12 -0.634 -8.167e+03 / ! c2h3+ch3o2h=c2h4+ch3o2 2.017e+01 3.18 1.734e+03 !wjp analogous to c2h5+ch3o2h c2h4+ch3o2<=>c2h3+ch3o2h 8.59 3.754 27132.0 !wjp: from reverse rate above and thermo c2h4+c2h5o2<=>c2h3+c2h5o2h 8.59 3.754 27132.0 !wjp: analogous to c2h4+ch3o2 !c2h4+c2h5o2<=>c2h3+c2h5o2h 2.230e+12 0.000 1.719e+04 !rev/ 7.943e+12 -0.634 -8.163e+03 / !c2h4+ch3co3<=>c2h3+ch3co3h 1.130e+13 0.000 3.043e+04 c2h4+ch3co3<=>c2h3+ch3co3h 8.59 3.754 27132.0 !wjp: analogous to c2h4+ch3o2 !rev/ 3.295e+12 -0.136 9.440e+03 / c2h4+ch3o2<=>c2h4o1-2+ch3o 2.820e+12 0.000 1.711e+04 rev/ 3.385e+13 -0.065 4.166e+04 / c2h4+c2h5o2<=>c2h4o1-2+c2h5o 2.820e+12 0.000 1.711e+04 rev/ 7.638e+15 -0.916 4.283e+04 / c2h4+ho2<=>c2h4o1-2 + oh 2.230e+12 0.000 1.719e+04 rev/ 4.280e+14 -0.364 3.750e+04 / ch+ch4<=>c2h4+h 6.000e+13 0.000 0.000e+00 rev/ 3.573e+14 0.000 5.548e+04 / ch2(s)+ch3<=>c2h4+h 2.000e+13 0.000 0.000e+00 rev/ 6.128e+19 -1.223 7.305e+04 / c2h2+h(+m)<=>c2h3(+m) 5.600e+12 0.000 2.400e+03 !rev/ 2.289e+12 0.023 3.672e+04 / low / 3.8000e+40 -7.2700e+00 7.2200e+03 / troe / 7.5100e-01 9.8500e+01 1.3020e+03 4.1670e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h3 + o2<=>c2h2+ho2 2.120e-06 6.000 9.484e+03 rev/ 1.087e-05 5.905 2.403e+04 / c2h3 + o2<=>ch2o+hco 8.500e+28 -5.312 6.500e+03 rev/ 3.994e+27 -4.883 9.345e+04 / c2h3 + o2<=>ch2cho+o 5.500e+14 -0.611 5.260e+03 rev/ 3.000e+18 -1.386 1.630e+04 / ch3+c2h3<=>ch4+c2h2 3.920e+11 0.000 0.000e+00 rev/ 3.497e+14 -0.193 7.078e+04 / c2h3+h<=>c2h2+h2 9.640e+13 0.000 0.000e+00 rev/ 9.427e+13 0.253 6.924e+04 / c2h3 + oh<=>c2h2+h2o 5.000e+12 0.000 0.000e+00 rev/ 5.184e+13 0.147 8.413e+04 / c2h+h(+m)<=>c2h2(+m) 1.000e+17 0.000 0.000e+00 !rev/ 3.157e+20 -0.539 1.329e+05 / low / 3.7500e+33 -4.8000e+00 1.9000e+03 / troe / 6.4600e-01 1.3200e+02 1.3150e+03 5.5660e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c2h2 + o2<=>hcco + oh 2.000e+08 1.500 3.010e+04 rev/ 2.039e+06 1.541 3.227e+04 / o+c2h2<=>c2h + oh 4.600e+19 -1.400 2.895e+04 rev/ 9.e13 0.0 0.0 / !WJP Correct reverse rate. It is 20 times collisional at 300K !rev/ 3.023e+15 -0.604 -1.782e+03 / c2h2+o<=>ch2+co 6.940e+06 2.000 1.900e+03 rev/ 4.050e+01 3.198 4.836e+04 / c2h2+o<=>hcco+h 1.350e+07 2.000 1.900e+03 rev/ 4.755e+07 1.650 2.080e+04 / c2h2 + oh<=>c2h+h2o 3.370e+07 2.000 1.400e+04 rev/ 4.524e+04 2.709 -4.280e+02 / c2h2 + oh<=>ch2co+h 3.236e+13 0.000 1.200e+04 rev/ 3.061e+17 -0.802 3.579e+04 / c2h2 + oh<=>ch3+co 4.830e-04 4.000 -2.000e+03 rev/ 3.495e-06 4.638 5.212e+04 / oh+c2h2<=>h+hccoh 5.040e+05 2.300 1.350e+04 rev/ 3.852e+09 1.436 4.382e+03 / h+hccoh<=>h+ch2co 1.000e+13 0.000 0.000e+00 rev/ 9.299e+13 -0.290 3.111e+04 / c2h5oh(+m)<=>ch2oh+ch3(+m) 2.000e+23 -1.680 9.640e+04 !rev/ 8.383e+14 -0.218 7.018e+03 / low / 3.1100e+85 -1.8840e+01 1.1310e+05 / troe / 5.0000e-01 5.5000e+02 8.2500e+02 6.1000e+03 / !troe fall-off reaction h2/2/ h2o/5/ co/2/ co2/3/ c2h5oh(+m)<=>c2h5 + oh(+m) 2.400e+23 -1.620 9.954e+04 !rev/ 8.998e+15 -0.240 4.653e+03 / low / 5.1100e+85 -1.8800e+01 1.1877e+05 / troe / 5.0000e-01 6.5000e+02 8.0000e+02 1.0000e+15 / !troe fall-off reaction h2/2/ h2o/5/ co/2/ co2/3/ c2h5oh(+m)<=>c2h4+h2o(+m) 1.320e+05 2.520 6.066e+04 !rev/ 1.165e-02 4.190 4.874e+04 / low / 3.0900e+55 -1.0920e+01 6.2644e+04 / troe / 8.9700e-01 1.0000e+10 1.0000e+00 5.0000e+09 / !troe fall-off reaction h2o/5/ c2h5oh(+m)<=>ch3cho+h2(+m) 7.240e+11 0.095 9.101e+04 !rev/ 4.912e+07 0.994 7.496e+04 / low / 4.4600e+87 -1.9420e+01 1.1558e+05 / troe / 9.0000e-01 9.0000e+02 1.1000e+03 3.5000e+03 / !troe fall-off reaction h2o/5/ c2h5oh + o2<=>pc2h4oh+ho2 2.000e+13 0.000 5.280e+04 rev/ 2.192e+10 0.278 4.430e+02 / c2h5oh + o2<=>sc2h4oh+ho2 1.500e+13 0.000 5.015e+04 rev/ 1.946e+11 0.089 4.879e+03 / c2h5oh + oh<=>pc2h4oh+h2o 1.810e+11 0.400 7.170e+02 rev/ 4.012e+08 0.920 1.794e+04 / c2h5oh + oh<=>sc2h4oh+h2o 5.560e+10 0.500 -3.800e+02 rev/ 1.458e+09 0.831 2.393e+04 / c2h5oh + oh<=>c2h5o+h2o 1.500e+10 0.800 2.534e+03 rev/ 7.320e+09 0.906 1.721e+04 / c2h5oh+h<=>pc2h4oh+h2 1.880e+03 3.200 7.150e+03 rev/ 3.930e-01 3.826 9.484e+03 / c2h5oh+h<=>sc2h4oh+h2 1.790e+05 2.530 3.420e+03 rev/ 4.429e+02 2.967 1.284e+04 / c2h5oh+h<=>c2h5o+h2 5.360e+04 2.530 4.405e+03 rev/ 2.467e+03 2.742 4.188e+03 / c2h5oh+ho2<=>pc2h4oh+h2o2 2.379e+04 2.550 1.649e+04 rev/ 2.877e+03 2.481 2.827e+03 / c2h5oh+ho2<=>sc2h4oh+h2o2 6.000e+12 0.000 1.600e+04 rev/ 8.589e+12 -0.258 9.419e+03 / c2h5oh+ho2<=>c2h5o+h2o2 2.500e+12 0.000 2.400e+04 rev/ 6.658e+13 -0.483 7.782e+03 / c2h5oh+ch3o2<=>pc2h4oh+ch3o2h 1.230e+04 2.550 1.575e+04 rev/ 2.894e+04 2.036 4.880e+02 / c2h5oh+ch3o2<=>sc2h4oh+ch3o2h 8.200e+03 2.550 1.075e+04 rev/ 2.284e+05 1.847 2.574e+03 / c2h5oh+ch3o2<=>c2h5o+ch3o2h 2.500e+12 0.000 2.400e+04 rev/ 1.295e+15 -0.927 6.187e+03 / c2h5oh+o<=>pc2h4oh + oh 9.690e+02 3.230 4.658e+03 rev/ 1.052e-01 3.837 5.580e+03 / c2h5oh+o<=>sc2h4oh + oh 1.450e+05 2.470 8.760e+02 rev/ 1.862e+02 2.888 8.884e+03 / c2h5oh+o<=>c2h5o + oh 1.460e-03 4.730 1.727e+03 rev/ 3.488e-05 4.924 9.800e+01 / c2h5oh+ch3<=>pc2h4oh+ch4 3.300e+02 3.300 1.229e+04 rev/ 6.294e+01 3.480 1.616e+04 / c2h5oh+ch3<=>sc2h4oh+ch4 1.993e+01 3.370 7.634e+03 rev/ 4.498e+01 3.361 1.859e+04 / c2h5oh+ch3<=>c2h5o+ch4 2.035e+00 3.570 7.721e+03 rev/ 8.545e+01 3.336 9.044e+03 / c2h5oh+c2h5<=>pc2h4oh+c2h6 5.000e+10 0.000 1.340e+04 rev/ 6.995e+10 0.000 2.699e+04 / c2h5oh+c2h5<=>sc2h4oh+c2h6 5.000e+10 0.000 1.040e+04 rev/ 6.995e+10 0.000 2.399e+00 / pc2h4oh<=>c2h4 + oh 1.047e+25 -3.990 3.039e+04 rev/ 4.170e+20 -2.840 1.240e+03 / sc2h4oh+m<=>ch3cho+h+m 1.000e+14 0.000 2.500e+04 rev/ 2.742e+12 0.462 -4.700e+02 / o2c2h4oh<=>pc2h4oh + o2 3.900e+16 -1.000 3.000e+04 rev/ 1.200e+11 0.000 -1.100e+03 / o2c2h4oh<=>oh+ch2o+ch2o 3.125e+09 0.000 1.890e+04 rev/ 0.000e+00 0.000 0.000e+00 / sc2h4oh + o2<=>ch3cho+ho2 3.810e+06 2.000 1.641e+03 rev/ 2.190e+05 2.390 2.504e+04 / ch3coch3(+m)<=>ch3co+ch3(+m) 7.108e+21 -1.570 8.468e+04 !rev/ 1.000e+13 0.000 3.000e+00 / low / 7.0130e+89 -2.0380e+01 1.0715e+05 / troe / 8.6300e-01 1.0000e+10 4.1640e+02 3.2900e+09 / !troe fall-off reaction ch3coch3 + oh<=>ch3coch2+h2o 1.250e+05 2.483 4.450e+02 rev/ 8.620e+04 2.322 2.471e+04 / ch3coch3+h<=>ch3coch2+h2 9.800e+05 2.430 5.160e+03 rev/ 6.374e+04 2.375 1.453e+04 / ch3coch3+o<=>ch3coch2 + oh 5.130e+11 0.211 4.890e+03 rev/ 1.732e+10 0.137 1.285e+04 / ch3coch3+ch3<=>ch3coch2+ch4 3.960e+11 0.000 9.784e+03 rev/ 2.350e+13 -0.501 2.069e+04 / ch3coch3+ch3o<=>ch3coch2+ch3oh 4.340e+11 0.000 6.460e+03 rev/ 6.060e+11 -0.268 1.606e+04 / ch3coch3 + o2<=>ch3coch2+ho2 6.030e+13 0.000 4.850e+04 rev/ 2.057e+13 -0.403 3.181e+03 / ch3coch3+ho2<=>ch3coch2+h2o2 1.700e+13 0.000 2.046e+04 rev/ 6.397e+14 -0.750 1.383e+04 / ch3coch3+ch3o2<=>ch3coch2+ch3o2h 1.700e+13 0.000 2.046e+04 rev/ 1.245e+16 -1.195 1.223e+04 / ch3coch2<=>ch2co+ch3 1.000e+14 0.000 3.100e+04 rev/ 1.000e+11 0.000 6.000e+03 / ch3coch2o2<=>ch3coch2 + o2 2.021e+15 -0.956 2.446e+04 rev/ 1.200e+11 0.000 -1.100e+03 / ch3coch3+ch3coch2o2<=>ch3coch2+ch3coch2o2h 1.000e+11 0.000 5.000e+03 rev/ 1.995e+10 0.000 1.000e+04 / ch2o+ch3coch2o2<=>hco+ch3coch2o2h 1.288e+11 0.000 9.000e+03 rev/ 2.512e+10 0.000 1.010e+04 / ho2+ch3coch2o2<=>ch3coch2o2h + o2 1.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch3coch2o2h<=>ch3coch2o + oh 1.000e+16 0.000 4.300e+04 !rev/ 4.242e+08 1.740 -4.342e+03 / rev/ 1.0e15 -0.8 0.0 / ! wjp: est. (kr from thermo above collisional.) ch3coch2o<=>ch3co+ch2o 3.732e+20 -2.176 1.726e+04 rev/ 1.000e+11 0.000 1.190e+04 / c2h3cho<=>c2h3+hco 2.003e+24 -2.135 1.034e+05 rev/ 1.810e+13 0.000 0.000e+00 / c2h3cho+h<=>c2h3co+h2 1.340e+13 0.000 3.300e+03 rev/ 3.311e+10 0.613 2.268e+04 / c2h3cho+o<=>c2h3co + oh 5.940e+12 0.000 1.868e+03 rev/ 7.618e+09 0.594 1.984e+04 / c2h3cho + oh<=>c2h3co+h2o 9.240e+06 1.500 -9.620e+02 rev/ 2.420e+05 2.007 3.331e+04 / c2h3cho + o2<=>c2h3co+ho2 1.005e+13 0.000 4.070e+04 rev/ 1.302e+11 0.265 5.391e+03 / c2h3cho+ho2<=>c2h3co+h2o2 3.010e+12 0.000 1.192e+04 rev/ 4.303e+12 -0.082 1.530e+04 / c2h3cho+ch3<=>c2h3co+ch4 2.608e+06 1.780 5.911e+03 rev/ 5.878e+06 1.947 2.683e+04 / c2h3cho+c2h3<=>c2h3co+c2h4 1.740e+12 0.000 8.440e+03 rev/ 1.000e+13 0.000 2.800e+04 / c2h3cho+ch3o<=>c2h3co+ch3oh 1.000e+12 0.000 3.300e+03 rev/ 5.304e+10 0.401 2.291e+04 / c2h3cho+ch3o2<=>c2h3co+ch3o2h 3.010e+12 0.000 1.192e+04 rev/ 8.371e+13 -0.527 1.371e+04 / c2h3co<=>c2h3+co 1.370e+21 -2.179 3.941e+04 rev/ 1.510e+11 0.000 4.810e+03 / c2h5cho<=>c2h5+hco 1.496e+27 -3.205 8.704e+04 rev/ 1.810e+13 0.000 0.000e+00 / c2h5cho+h<=>c2h5co+h2 4.000e+13 0.000 4.200e+03 rev/ 2.377e+10 0.654 1.813e+04 / c2h5cho+o<=>c2h5co + oh 5.000e+12 0.000 1.790e+03 rev/ 1.542e+09 0.636 1.431e+04 / c2h5cho + oh<=>c2h5co+h2o 2.690e+10 0.760 -3.400e+02 rev/ 1.695e+08 1.308 2.848e+04 / c2h5cho+ch3<=>c2h5co+ch4 2.608e+06 1.780 5.911e+03 rev/ 1.414e+06 1.988 2.138e+04 / c2h5cho+ho2<=>c2h5co+h2o2 2.800e+12 0.000 1.360e+04 rev/ 9.626e+11 -0.041 1.153e+04 / c2h5cho+ch3o<=>c2h5co+ch3oh 1.000e+12 0.000 3.300e+03 rev/ 1.276e+10 0.442 1.746e+04 / c2h5cho+ch3o2<=>c2h5co+ch3o2h 3.010e+12 0.000 1.192e+04 rev/ 2.013e+13 -0.485 8.260e+03 / c2h5cho+c2h5<=>c2h5co+c2h6 1.000e+12 0.000 8.000e+03 rev/ 6.432e+12 -0.028 1.970e+04 / c2h5cho+c2h5o<=>c2h5co+c2h5oh 6.026e+11 0.000 3.300e+03 rev/ 3.020e+11 0.000 1.816e+04 / c2h5cho+c2h5o2<=>c2h5co+c2h5o2h 3.010e+12 0.000 1.192e+04 rev/ 2.017e+13 -0.486 8.264e+03 / c2h5cho + o2<=>c2h5co+ho2 1.005e+13 0.000 4.070e+04 rev/ 3.131e+10 0.306 -5.800e+01 / c2h5cho+ch3co3<=>c2h5co+ch3co3h 3.010e+12 0.000 1.192e+04 rev/ 1.651e+12 0.012 1.263e+04 / c2h5cho+c2h3<=>c2h5co+c2h4 1.700e+12 0.000 8.440e+03 rev/ 3.198e+12 0.148 3.013e+04 / c2h5co<=>c2h5+co 2.460e+23 -3.208 1.755e+04 rev/ 1.510e+11 0.000 4.810e+03 / ch3och3(+m)<=>ch3+ch3o(+m) 7.250e+21 -0.940 8.025e+04 !rev/ 2.239e+13 0.617 -2.877e+03 / low / 3.5000e+60 -1.1560e+01 1.0100e+05 / troe / 1.8300e-01 1.3000e+00 1.3000e+04 6.7100e+09 / !troe fall-off reaction ch3och3 + oh<=>ch3och2+h2o 6.324e+06 2.000 -6.517e+02 rev/ 7.853e+04 2.236 2.121e+04 / ch3och3+h<=>ch3och2+h2 7.721e+06 2.090 3.384e+03 rev/ 9.042e+03 2.432 1.036e+04 / ch3och3+o<=>ch3och2 + oh 7.750e+08 1.360 2.250e+03 rev/ 4.712e+05 1.683 7.810e+03 / ch3och3+ho2<=>ch3och2+h2o2 1.680e+13 0.000 1.769e+04 rev/ 1.138e+13 -0.353 8.657e+03 / ch3och3+ch3o2<=>ch3och2+ch3o2h 1.680e+13 0.000 1.769e+04 rev/ 2.215e+14 -0.798 7.062e+03 / ch3och3+ch3<=>ch3och2+ch4 1.445e-06 5.730 5.700e+03 rev/ 1.544e-06 5.626 1.421e+04 / ch3och3 + o2<=>ch3och2+ho2 4.100e+13 0.000 4.491e+04 rev/ 2.518e+11 -0.006 -2.806e+03 / ch3och3+ch3o<=>ch3och2+ch3oh 6.020e+11 0.000 4.074e+03 rev/ 7.383e+10 -0.270 1.026e+04 / ch3och3+ch3och2o2<=>ch3och2+ch3och2o2h 5.000e+12 0.000 1.769e+04 rev/ 6.428e+13 -0.794 7.258e+03 / ch3och3 + o2cho<=>ch3och2+ho2cho 4.425e+04 2.600 1.391e+04 rev/ 1.723e+06 1.746 5.832e+03 / ch3och3+ocho<=>ch3och2+hocho 1.000e+13 0.000 1.769e+04 rev/ 7.195e+12 -0.314 3.313e+04 / ch3och2<=>ch2o+ch3 1.600e+13 0.000 2.550e+04 rev/ 2.601e+05 1.879 1.667e+04 / ch3och2+ch3o<=>ch3och3+ch2o 2.410e+13 0.000 0.000e+00 rev/ 1.250e+14 0.320 7.854e+04 / ch3och2+ch2o<=>ch3och3+hco 5.490e+03 2.800 5.862e+03 rev/ 2.768e+04 2.745 1.408e+04 / ch3och2+ch3cho<=>ch3och3+ch3co 1.260e+12 0.000 8.499e+03 rev/ 7.746e+11 0.280 1.698e+04 / ch3och2o2<=>ch3och2 + o2 4.439e+19 -1.594 3.624e+04 rev/ 2.000e+12 0.000 0.000e+00 / ch3och2o2+ch2o<=>ch3och2o2h+hco 1.000e+12 0.000 1.166e+04 rev/ 6.482e+13 -0.849 9.455e+03 / ch3och2o2+ch3cho<=>ch3och2o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ch3och2o2+ch3och2o2<=>o2+ch3och2o+ch3och2o 2.210e+23 -4.500 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch3och2o2h<=>ch3och2o + oh 2.106e+22 -2.124 4.383e+04 rev/ 2.000e+13 0.000 0.000e+00 / ch3och2o<=>ch3o+ch2o 4.384e+19 -2.014 2.519e+04 rev/ 1.000e+11 0.000 1.190e+04 / ch3och2o + o2<=>ch3ocho+ho2 5.000e+10 0.000 5.000e+02 rev/ 1.086e+10 -0.020 4.648e+04 / ch3och2o<=>ch3ocho+h 6.060e+12 0.056 8.218e+03 rev/ 1.000e+13 0.000 7.838e+03 / ch3och2o2<=>ch2och2o2h 6.000e+10 0.000 2.158e+04 rev/ 1.248e+12 -0.765 1.112e+04 / ch2och2o2h<=>oh+ch2o+ch2o 1.500e+13 0.000 2.076e+04 rev/ 0.000e+00 0.000 0.000e+00 / o2ch2och2o2h<=>ch2och2o2h + o2 1.924e+19 -1.622 3.627e+04 rev/ 7.000e+11 0.000 0.000e+00 / o2ch2och2o2h<=>ho2ch2ocho + oh 4.000e+10 0.000 1.858e+04 rev/ 5.041e+03 1.416 5.964e+04 / ho2ch2ocho<=>och2ocho + oh 2.000e+16 0.000 4.050e+04 rev/ 1.0e15 -0.8 0.0 / ! wjp: est. (kr from thermo above collisional.) !rev/ 1.183e+08 1.934 -3.952e+03 / och2ocho<=>ch2o+ocho 2.898e+19 -2.201 3.185e+04 rev/ 1.250e+11 0.000 1.190e+04 / och2ocho<=>hoch2oco 1.000e+11 0.000 1.400e+04 rev/ 1.568e+09 0.487 2.067e+04 / hoch2oco<=>hoch2o+co 2.238e+19 -2.021 1.969e+04 rev/ 1.500e+11 0.000 4.800e+03 / hoch2oco<=>ch2oh+co2 2.413e+17 -1.574 2.212e+04 rev/ 1.500e+11 0.000 3.572e+04 / ch3ocho<=>ch2ocho+h 8.241e+19 -1.150 1.025e+05 rev/ 1.000e+14 0.000 0.000e+00 / ch3ocho<=>ch3oco+h 1.325e+19 -1.000 1.001e+05 rev/ 1.000e+14 0.000 0.000e+00 / ch3ocho(+m)<=>ch3oh+co(+m) 1.000e+14 0.000 6.250e+04 !rev/ 1.321e+03 2.525 4.968e+04 / low / 6.1430e+60 -1.2070e+01 7.5400e+04 / troe / 7.8000e-01 8.2800e+09 4.3890e+02 6.7000e+08 / !troe fall-off reaction ch3ocho<=>ch3o+hco 5.374e+16 -0.010 9.709e+04 !rev/ 3.000e+13 0.000 0.000e+00 / rev/ 2.0e12 0.0 -1000.0 /!wjp: estimate. kr from thermo above collisional ch3ocho<=>ch3+ocho 3.214e+17 -0.530 7.997e+04 rev/ 1.000e+13 0.000 0.000e+00 / ch3ocho + o2<=>ch3oco+ho2 1.000e+13 0.000 4.970e+04 rev/ 2.979e+10 0.329 9.998e-01 / ch3ocho + o2<=>ch2ocho+ho2 2.050e+13 0.000 5.200e+04 rev/ 2.143e+10 0.356 3.310e+02 / ch3ocho + oh<=>ch3oco+h2o 1.580e+07 1.800 9.340e+02 rev/ 9.519e+04 2.371 2.082e+04 / ch3ocho + oh<=>ch2ocho+h2o 5.270e+09 0.970 1.586e+03 rev/ 1.114e+07 1.568 1.950e+04 / ch3ocho+ho2<=>ch3oco+h2o2 4.820e+03 2.600 1.391e+04 rev/ 1.585e+03 2.581 2.899e+03 / ch3ocho+ho2<=>ch2ocho+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.746e+03 2.558 3.513e+03 / ch3ocho+o<=>ch3oco + oh 2.755e+05 2.450 2.830e+03 rev/ 8.126e+01 3.108 6.408e+03 / ch3ocho+o<=>ch2ocho + oh 9.800e+05 2.430 4.750e+03 rev/ 1.014e+02 3.115 6.358e+03 / ch3ocho+h<=>ch3oco+h2 6.500e+05 2.400 4.471e+03 rev/ 3.693e+02 3.076 9.461e+03 / ch3ocho+h<=>ch2ocho+h2 6.650e+05 2.540 6.756e+03 rev/ 1.326e+02 3.243 9.776e+03 / ch3ocho+ch3<=>ch3oco+ch4 7.550e-01 3.460 5.481e+03 rev/ 3.914e-01 3.691 1.201e+04 / ch3ocho+ch3<=>ch2ocho+ch4 4.520e-01 3.650 7.154e+03 rev/ 8.222e-02 3.908 1.171e+04 / ch3ocho+ch3o<=>ch3oco+ch3oh 5.480e+11 0.000 5.000e+03 rev/ 6.685e+09 0.464 1.022e+04 / ch3ocho+ch3o<=>ch2ocho+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 9.289e+08 0.491 9.705e+03 / ch3ocho+ch3o2<=>ch3oco+ch3o2h 4.820e+03 2.600 1.391e+04 rev/ 3.083e+04 2.137 1.304e+03 / ch3ocho+ch3o2<=>ch2ocho+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 5.342e+04 2.114 1.918e+03 / ch3ocho+hco<=>ch3oco+ch2o 5.400e+06 1.900 1.701e+04 rev/ 5.196e+05 2.290 6.806e+03 / ch3ocho+hco<=>ch2ocho+ch2o 1.025e+05 2.500 1.843e+04 rev/ 3.461e+03 2.917 6.261e+03 / ch2ocho<=>ch3oco 2.620e+11 -0.030 3.818e+04 rev/ 1.629e+12 -0.180 4.067e+04 / ch3oco<=>ch3+co2 3.590e+14 -0.172 1.601e+04 rev/ 4.760e+07 1.540 3.470e+04 / ch3oco<=>ch3o+co 1.431e+15 -0.041 2.377e+04 rev/ 1.550e+06 2.020 5.730e+03 / ch2ocho<=>ch2o+hco 4.661e+12 0.120 2.744e+04 rev/ 1.500e+11 0.000 1.190e+04 / c3h8(+m)<=>ch3+c2h5(+m) 1.290e+37 -5.840 9.738e+04 !rev/ 1.179e+27 -3.993 7.323e+03 / low / 5.6400e+74 -1.5740e+01 9.8714e+04 / troe / 3.1000e-01 5.0000e+01 3.0000e+03 9.0000e+03 / !troe fall-off reaction h2/2/ h2o/6/ ar/.7/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ he/.7/ c3h8<=>nc3h7+h 3.750e+17 -0.357 1.012e+05 rev/ 1.000e+14 0.000 0.000e+00 / c3h8<=>ic3h7+h 2.377e+18 -0.671 9.868e+04 rev/ 1.000e+14 0.000 0.000e+00 / c3h8 + o2<=>ic3h7+ho2 2.000e+13 0.000 4.964e+04 rev/ 1.764e+09 0.599 -1.690e+02 / c3h8 + o2<=>nc3h7+ho2 6.000e+13 0.000 5.229e+04 rev/ 3.354e+10 0.285 -5.900e+01 / h+c3h8<=>h2+ic3h7 1.300e+06 2.400 4.471e+03 rev/ 2.186e+01 3.347 9.351e+03 / h+c3h8<=>h2+nc3h7 1.330e+06 2.540 6.756e+03 rev/ 1.418e+02 3.173 9.096e+03 / c3h8+o<=>ic3h7 + oh 5.490e+05 2.500 3.140e+03 rev/ 4.793e+00 3.428 6.608e+03 / c3h8+o<=>nc3h7 + oh 3.710e+06 2.400 5.505e+03 rev/ 2.053e+02 3.014 6.433e+03 / c3h8 + oh<=>nc3h7+h2o 1.054e+10 0.970 1.586e+03 rev/ 1.191e+07 1.497 1.882e+04 / c3h8 + oh<=>ic3h7+h2o 4.670e+07 1.610 -3.500e+01 rev/ 8.327e+03 2.451 1.974e+04 / c3h8+ho2<=>ic3h7+h2o2 5.880e+04 2.500 1.486e+04 rev/ 5.721e+02 2.752 3.742e+03 / c3h8+ho2<=>nc3h7+h2o2 8.100e+04 2.500 1.669e+04 rev/ 4.995e+03 2.438 3.030e+03 / ch3+c3h8<=>ch4+ic3h7 6.400e+04 2.170 7.520e+03 rev/ 9.819e+02 2.671 1.394e+04 / ch3+c3h8<=>ch4+nc3h7 9.040e-01 3.650 7.154e+03 rev/ 8.791e-02 3.837 1.103e+04 / ic3h7+c3h8<=>nc3h7+c3h8 3.000e+10 0.000 1.290e+04 rev/ 3.000e+10 0.000 1.290e+04 / c2h3+c3h8<=>c2h4+ic3h7 1.000e+11 0.000 1.040e+04 rev/ 1.310e+11 0.000 1.780e+04 / c2h3+c3h8<=>c2h4+nc3h7 1.000e+11 0.000 1.040e+04 rev/ 1.310e+11 0.000 1.780e+04 / c2h5+c3h8<=>c2h6+ic3h7 1.000e+11 0.000 1.040e+04 rev/ 3.630e+10 0.000 9.934e+03 / c2h5+c3h8<=>c2h6+nc3h7 1.000e+11 0.000 1.040e+04 rev/ 3.630e+10 0.000 9.934e+03 / c3h8+c3h5-a<=>nc3h7+c3h6 7.940e+11 0.000 2.050e+04 rev/ 5.372e+16 -1.330 1.340e+04 / c3h8+c3h5-a<=>ic3h7+c3h6 7.940e+11 0.000 1.620e+04 rev/ 5.372e+16 -1.330 9.095e+03 / c3h8+ch3o<=>nc3h7+ch3oh 3.000e+11 0.000 7.000e+03 rev/ 1.220e+10 0.000 9.182e+03 / c3h8+ch3o<=>ic3h7+ch3oh 3.000e+11 0.000 7.000e+03 rev/ 1.220e+10 0.000 9.182e+03 / ch3o2+c3h8<=>ch3o2h+nc3h7 8.100e+04 2.500 1.669e+04 rev/ 9.718e+04 1.993 1.435e+03 / ch3o2+c3h8<=>ch3o2h+ic3h7 5.880e+04 2.500 1.486e+04 rev/ 1.113e+04 2.307 2.147e+03 / c2h5o2+c3h8<=>c2h5o2h+nc3h7 8.100e+04 2.500 1.669e+04 rev/ 9.735e+04 1.993 1.439e+03 / c2h5o2+c3h8<=>c2h5o2h+ic3h7 5.880e+04 2.500 1.486e+04 rev/ 1.115e+04 2.307 2.151e+03 / nc3h7o2+c3h8<=>nc3h7o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 2.086e+13 -0.510 5.000e+03 / nc3h7o2+c3h8<=>nc3h7o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 3.871e+11 -0.196 4.080e+03 / ic3h7o2+c3h8<=>ic3h7o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 2.093e+13 -0.511 5.000e+03 / ic3h7o2+c3h8<=>ic3h7o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 3.885e+11 -0.197 4.080e+03 / c3h8+ch3co3<=>ic3h7+ch3co3h 2.000e+12 0.000 1.700e+04 rev/ 3.104e+10 0.305 8.650e+03 / c3h8+ch3co3<=>nc3h7+ch3co3h 1.700e+13 0.000 2.046e+04 rev/ 1.673e+12 -0.009 9.570e+03 / c3h8 + o2cho<=>nc3h7+ho2cho 5.520e+04 2.550 1.648e+04 rev/ 1.187e-08 5.540 -1.920e+03 / c3h8 + o2cho<=>ic3h7+ho2cho 1.475e+04 2.600 1.391e+04 rev/ 7.838e-06 4.650 -3.000e+01 / ic3h7<=>h+c3h6 6.919e+13 -0.025 3.769e+04 rev/ 2.640e+13 0.000 2.160e+03 / ic3h7+h<=>c2h5+ch3 2.000e+13 0.000 0.000e+00 rev/ 4.344e+07 1.176 8.620e+03 / ic3h7 + o2<=>c3h6+ho2 4.500e-19 0.000 5.020e+03 rev/ 2.000e-19 0.000 1.750e+04 / ic3h7 + oh<=>c3h6+h2o 2.410e+13 0.000 0.000e+00 rev/ 2.985e+12 0.570 8.382e+04 / ic3h7+o<=>ch3coch3+h 4.818e+13 0.000 0.000e+00 rev/ 1.293e+16 -0.190 7.938e+04 / ic3h7+o<=>ch3cho+ch3 4.818e+13 0.000 0.000e+00 rev/ 1.279e+11 0.800 8.648e+04 / !nc3h7<=>ch3+c2h4 9.970e+40 -8.600 4.143e+04 !rev/ 1.898e+34 -6.990 1.710e+04 / !nc3h7<=>h+c3h6 8.780e+39 -8.100 4.658e+04 !rev/ 2.070e+37 -7.390 1.202e+04 / ! ! checked on nist 2006cur250-275 ! nc3h7<=>ch3+c2h4 9.24e10 0.87 3.05e04 nc3h7<=>h+c3h6 4.14e12 0.17 3.56e04 ! nc3h7 + o2<=>c3h6+ho2 3.000e-19 0.000 3.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / c2h5cho+nc3h7<=>c2h5co+c3h8 1.700e+12 0.000 8.440e+03 rev/ 1.900e+14 0.000 1.879e+04 / c2h5cho+ic3h7<=>c2h5co+c3h8 1.700e+12 0.000 8.440e+03 rev/ 1.900e+14 0.000 1.879e+04 / c2h5cho+c3h5-a<=>c2h5co+c3h6 1.700e+12 0.000 8.440e+03 rev/ 1.000e+13 0.000 2.800e+04 / c3h6<=>c2h3+ch3 2.730e+62 -13.280 1.232e+05 rev/ 6.822e+53 -11.779 2.055e+04 / c3h6<=>c3h5-a+h 2.010e+61 -13.260 1.185e+05 rev/ 2.041e+61 -13.520 3.061e+04 / c3h6<=>c3h5-s+h 7.710e+69 -16.090 1.400e+05 rev/ 2.551e+67 -15.867 2.869e+04 / c3h6<=>c3h5-t+h 5.620e+71 -16.580 1.393e+05 rev/ 4.260e+68 -16.164 3.008e+04 / c3h6+o<=>c2h5+hco 1.580e+07 1.760 -1.216e+03 rev/ 9.188e+01 2.725 2.311e+04 / c3h6+o<=>ch2co+ch3+h 2.500e+07 1.760 7.600e+01 rev/ 0.000e+00 0.000 0.000e+00 / c3h6+o=>ch3chco+h+h 2.500e+07 1.760 7.600e+01 ! wjp: kr from thermo above collisional for this global rxn !c3h6+o<=>ch3chco+h+h 2.500e+07 1.760 7.600e+01 !rev/ 0.000e+00 0.000 0.000e+00 / c3h6+o<=>c3h5-a + oh 5.240e+11 0.700 5.884e+03 rev/ 1.104e+11 0.697 2.015e+04 / c3h6+o<=>c3h5-s + oh 1.200e+11 0.700 8.959e+03 rev/ 8.239e+07 1.180 -2.070e+02 / c3h6+o<=>c3h5-t + oh 6.030e+10 0.700 7.632e+03 rev/ 9.483e+06 1.373 5.760e+02 / c3h6 + oh<=>c3h5-a+h2o 3.120e+06 2.000 -2.980e+02 rev/ 1.343e+07 1.909 3.027e+04 / c3h6 + oh<=>c3h5-s+h2o 2.110e+06 2.000 2.778e+03 rev/ 2.959e+04 2.393 9.916e+03 / c3h6 + oh<=>c3h5-t+h2o 1.110e+06 2.000 1.451e+03 rev/ 3.565e+03 2.586 1.070e+04 / c3h6+ho2<=>c3h5-a+h2o2 2.700e+04 2.500 1.234e+04 rev/ 6.341e+06 1.820 1.201e+04 / c3h6+ho2<=>c3h5-s+h2o2 1.800e+04 2.500 2.762e+04 rev/ 1.377e+04 2.304 3.864e+03 / c3h6+ho2<=>c3h5-t+h2o2 9.000e+03 2.500 2.359e+04 rev/ 1.577e+03 2.497 1.941e+03 / c3h6+h<=>c3h5-a+h2 1.730e+05 2.500 2.492e+03 rev/ 7.023e+04 2.515 1.817e+04 / c3h6+h<=>c3h5-s+h2 8.040e+05 2.500 1.228e+04 rev/ 1.063e+03 2.999 4.526e+03 / c3h6+h<=>c3h5-t+h2 4.050e+05 2.500 9.794e+03 rev/ 1.227e+02 3.192 4.150e+03 / c3h6+h<=>c2h4+ch3 2.300e+13 0.000 2.547e+03 rev/ 7.272e+07 1.271 1.120e+04 / c3h6 + o2<=>c3h5-a+ho2 4.000e+12 0.000 3.990e+04 rev/ 8.514e+12 -0.333 8.870e+02 / c3h6 + o2<=>c3h5-s+ho2 2.000e+12 0.000 6.290e+04 rev/ 1.387e+10 0.151 4.590e+02 / c3h6 + o2<=>c3h5-t+ho2 1.400e+12 0.000 6.070e+04 rev/ 2.224e+09 0.344 3.690e+02 / c3h6+ch3<=>c3h5-a+ch4 2.210e+00 3.500 5.675e+03 rev/ 8.184e+02 3.070 2.289e+04 / c3h6+ch3<=>c3h5-s+ch4 1.348e+00 3.500 1.285e+04 rev/ 1.626e+00 3.553 6.635e+03 / c3h6+ch3<=>c3h5-t+ch4 8.400e-01 3.500 1.166e+04 rev/ 2.322e-01 3.746 7.552e+03 / c3h6+c2h5<=>c3h5-a+c2h6 1.000e+11 0.000 9.800e+03 rev/ 5.369e+05 1.330 1.644e+04 / c3h6+ch3co3<=>c3h5-a+ch3co3h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6+ch3o2<=>c3h5-a+ch3o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6+ho2<=>c3h6o1-2 + oh 1.290e+12 0.000 1.490e+04 rev/ 1.000e-10 0.000 0.000e+00 / c3h6+c2h5o2<=>c3h5-a+c2h5o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6+nc3h7o2<=>c3h5-a+nc3h7o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6+ic3h7o2<=>c3h5-a+ic3h7o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6oh<=>c3h6 + oh 4.343e+15 -0.805 2.790e+04 rev/ 9.930e+11 0.000 -9.600e+02 / hoc3h6o2<=>c3h6oh + o2 2.873e+19 -1.897 3.429e+04 rev/ 1.200e+11 0.000 -1.100e+03 / hoc3h6o2<=>ch3cho+ch2o + oh 1.250e+10 0.000 1.890e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h5-a<=>c2h2+ch3 2.397e+48 -9.900 8.208e+04 rev/ 2.610e+46 -9.820 3.695e+04 / c3h5-a<=>c3h4-a+h 4.194e+13 0.216 6.193e+04 rev/ 2.400e+11 0.690 3.007e+03 / c3h5-a+ho2<=>c3h5o + oh 7.000e+12 0.000 -1.000e+03 rev/ 1.605e+12 0.060 1.166e+04 / c3h5-a+ch3o2<=>c3h5o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.990e+15 -0.740 1.702e+04 / c3h5-a+h<=>c3h4-a+h2 1.232e+03 3.035 2.582e+03 rev/ 2.818e+00 3.784 4.722e+04 / c3h5-a+ch3<=>c3h4-a+ch4 1.000e+11 0.000 0.000e+00 rev/ 4.921e+12 0.050 4.778e+04 / c3h5-a+c2h5<=>c2h6+c3h4-a 4.000e+11 0.000 0.000e+00 rev/ 1.802e+12 0.050 4.033e+04 / c3h5-a+c2h5<=>c2h4+c3h6 4.000e+11 0.000 0.000e+00 rev/ 6.937e+16 -1.330 5.280e+04 / c3h5-a+c2h3<=>c2h4+c3h4-a 1.000e+12 0.000 0.000e+00 rev/ 1.624e+13 0.050 4.819e+04 / c3h4-a+c3h6<=>c3h5-a+c3h5-a 4.749e+08 0.734 2.870e+04 rev/ 8.430e+10 0.000 -2.620e+02 / c3h5-a + o2<=>c3h4-a+ho2 2.180e+21 -2.850 3.076e+04 rev/ 2.614e+19 -2.449 2.071e+04 / c3h5-a + o2<=>ch2cho+ch2o 7.140e+15 -1.210 2.105e+04 rev/ 4.944e+16 -1.400 8.862e+04 / c3h5-a + o2<=>c2h3cho + oh 2.470e+13 -0.440 2.302e+04 rev/ 1.989e+13 -0.609 7.514e+04 / c3h5-a + o2<=>c2h2+ch2o + oh 9.720e+29 -5.710 2.145e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h5-s<=>c2h2+ch3 9.598e+39 -8.170 4.203e+04 rev/ 1.610e+40 -8.580 2.033e+04 / c3h5-s<=>c3h4-p+h 4.187e+15 -0.790 3.748e+04 rev/ 5.800e+12 0.000 3.100e+03 / c3h5-s + o2<=>ch3cho+hco 4.335e+12 0.000 0.000e+00 rev/ 1.611e+17 -1.270 9.653e+04 / c3h5-s+h<=>c3h4-a+h2 3.333e+12 0.000 0.000e+00 rev/ 7.977e+12 0.110 6.886e+04 / c3h5-s+ch3<=>c3h4-a+ch4 1.000e+11 0.000 0.000e+00 rev/ 6.253e+12 0.110 6.934e+04 / c3h5-t<=>c2h2+ch3 2.163e+40 -8.310 4.511e+04 rev/ 1.610e+40 -8.580 2.033e+04 / c3h5-t<=>c3h4-a+h 3.508e+14 -0.440 4.089e+04 rev/ 8.500e+12 0.000 2.000e+03 / c3h5-t<=>c3h4-p+h 1.075e+15 -0.600 3.849e+04 rev/ 6.500e+12 0.000 2.000e+03 / c3h5-t + o2<=>c3h4-a+ho2 1.890e+30 -5.590 1.554e+04 rev/ 3.037e+31 -5.865 2.681e+04 / c3h5-t + o2<=>ch3coch2+o 3.810e+17 -1.360 5.580e+03 rev/ 2.000e+11 0.000 1.750e+04 / c3h5-t + o2<=>ch2o+ch3co 3.710e+25 -3.960 7.043e+03 rev/ 1.872e+27 -4.430 1.012e+05 / c3h5-t+h<=>c3h4-p+h2 3.333e+12 0.000 0.000e+00 rev/ 2.138e+16 -0.880 7.105e+04 / c3h5-t+ch3<=>c3h4-p+ch4 1.000e+11 0.000 0.000e+00 rev/ 1.676e+16 -0.880 7.153e+04 / c3h4-a+m<=>c3h3+h+m 1.143e+17 0.000 7.000e+04 !rev/ 1.798e+15 -0.380 1.061e+04 / rev / 2.0e17 0.0 -1000.0 / !wjp: est. kr from thermo above collisonal. c3h4-a<=>c3h4-p 1.202e+15 0.000 9.240e+04 rev/ 3.222e+18 -0.990 9.659e+04 / c3h4-a + o2<=>c3h3+ho2 4.000e+13 0.000 3.916e+04 rev/ 3.170e+11 -0.086 3.110e+02 / c3h4-a+ho2<=>ch2co+ch2 + oh 4.000e+12 0.000 1.900e+04 rev/ 1.000e+00 0.000 0.000e+00 / c3h4-a + oh<=>ch2co+ch3 3.120e+12 0.000 -3.970e+02 rev/ 1.806e+17 -1.380 3.607e+04 / c3h4-a + oh<=>c3h3+h2o 1.000e+07 2.000 1.000e+03 rev/ 1.602e+05 2.157 3.173e+04 / c3h4-a+o<=>c2h4+co 7.800e+12 0.000 1.600e+03 rev/ 3.269e+08 1.252 1.219e+05 / c3h4-a+o<=>c2h2+ch2o 3.000e-03 4.610 -4.243e+03 rev/ 2.320e+02 3.230 8.119e+04 / c3h4-a+h<=>c3h3+h2 2.000e+07 2.000 5.000e+03 rev/ 3.022e+04 2.262 2.084e+04 / c3h4-a+ch3<=>c3h3+ch4 3.670e-02 4.010 6.830e+03 rev/ 5.060e-02 3.826 2.421e+04 / c3h4-a+c3h5-a<=>c3h3+c3h6 2.000e+11 0.000 7.700e+03 rev/ 2.644e+19 -2.710 4.214e+04 / c3h4-a+c2h<=>c3h3+c2h2 1.000e+13 0.000 0.000e+00 rev/ 1.420e+16 -1.380 5.382e+04 / c3h4-p+m<=>c3h3+h+m 1.143e+17 0.000 7.000e+04 !rev/ 6.708e+11 0.610 6.420e+03 / rev / 2.0e17 0.0 -1000.0 / !wjp: est. kr from thermo above collisonal. c3h4-p<=>c2h+ch3 4.200e+16 0.000 1.000e+05 rev/ 1.018e+12 0.610 -1.600e+03 / c3h4-p + o2<=>hcco + oh+ch2 1.000e+07 1.500 3.010e+04 rev/ 1.000e+00 0.000 0.000e+00 / c3h4-p + o2<=>c3h3+ho2 2.000e+13 0.000 4.160e+04 rev/ 6.371e+11 -0.208 1.021e+03 / c3h4-p+ho2<=>c2h4+co + oh 3.000e+12 0.000 1.900e+04 rev/ 1.000e+00 0.000 0.000e+00 / c3h4-p + oh<=>c3h3+h2o 1.000e+07 2.000 1.000e+03 rev/ 6.441e+05 2.034 3.000e+04 / c3h4-p + oh<=>ch2co+ch3 5.000e-04 4.500 -1.000e+03 rev/ 1.079e-02 4.110 3.128e+04 / c3h4-p+o<=>c2h3+hco 3.200e+12 0.000 2.010e+03 rev/ 2.548e+12 -0.390 3.235e+04 / c3h4-p+o<=>hcco+ch3 9.600e+08 1.000 0.000e+00 rev/ 1.430e+04 1.793 2.699e+04 / c3h4-p+o=>hcco+ch2+h 3.200e-19 0.000 2.010e+03 !reverse from thermo is severely above collisional !rev/ 1.000e-30 0.000 0.000e+00 / c3h4-p+o<=>c3h3 + oh 7.650e+08 1.500 8.600e+03 rev/ 2.177e+08 1.310 2.247e+04 / c3h4-p+h<=>c3h3+h2 2.000e+07 2.000 5.000e+03 rev/ 1.215e+05 2.140 1.911e+04 / c3h4-p+ch3<=>c3h3+ch4 1.500e+00 3.500 5.600e+03 rev/ 8.313e+00 3.195 2.125e+04 / c3h4-p+c2h<=>c3h3+c2h2 1.000e+12 0.000 0.000e+00 rev/ 5.297e+11 -0.390 4.963e+04 / c3h4-p+c2h3<=>c3h3+c2h4 1.000e+12 0.000 7.700e+03 rev/ 9.541e+11 -0.390 5.245e+04 / c3h4-p+c3h5-a<=>c3h3+c3h6 1.000e+12 0.000 7.700e+03 rev/ 4.931e+16 -1.730 3.795e+04 / c3h3+o<=>ch2o+c2h 1.000e+13 0.000 0.000e+00 rev/ 5.446e+14 0.000 3.161e+04 / c3h3 + oh<=>c3h2+h2o 1.000e+13 0.000 0.000e+00 rev/ 1.343e+15 0.000 1.568e+04 / c3h3 + o2<=>ch2co+hco 3.010e+10 0.000 2.870e+03 rev/ 4.881e+11 0.000 5.947e+04 / c3h3+ch3<=>c2h5+c2h 4.299e+15 -0.790 4.563e+04 rev/ 1.810e+13 0.000 0.000e+00 / c3h2 + o2<=>hco+hcco 5.000e+13 0.000 0.000e+00 rev/ 2.326e+14 -0.214 7.719e+04 / c3h4-a+ho2<=>c2h4+co + oh 1.000e+12 0.000 1.400e+04 rev/ 1.000e+00 0.000 0.000e+00 / c3h4-a+ho2<=>c3h3+h2o2 3.000e+13 0.000 1.400e+04 rev/ 1.551e+16 -1.380 4.400e+04 / c2h2+ch3<=>c3h4-p+h 4.229e+08 1.143 1.209e+04 rev/ 1.000e+14 0.000 4.000e+03 / c2h2+ch3<=>c3h4-a+h 6.740e+19 -2.080 3.159e+04 rev/ 6.407e+25 -3.345 2.177e+04 / c3h3+h<=>c3h2+h2 5.000e+13 0.000 0.000e+00 rev/ 5.999e+07 1.365 4.110e+03 / c3h2 + oh<=>c2h2+hco 5.000e+13 0.000 0.000e+00 rev/ 2.282e+16 -0.254 7.502e+04 / c3h2 + o2<=>hcco+co+h 5.000e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch3chco + oh<=>c2h5+co2 1.730e+12 0.000 -1.010e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch3chco + oh<=>sc2h4oh+co 2.000e+12 0.000 -1.010e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch3chco+h<=>c2h5+co 4.400e+12 0.000 1.459e+03 rev/ 0.000e+00 0.000 0.000e+00 / ch3chco+o<=>ch3cho+co 3.200e+12 0.000 -4.370e+02 rev/ 0.000e+00 0.000 0.000e+00 / nc3h7+ho2<=>nc3h7o + oh 7.000e+12 0.000 -1.000e+03 rev/ 6.220e+15 -0.692 2.531e+04 / ic3h7+ho2<=>ic3h7o + oh 7.000e+12 0.000 -1.000e+03 rev/ 1.051e+16 -0.557 2.732e+04 / ch3o2+nc3h7<=>ch3o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 3.890e+14 -0.394 2.955e+04 / ch3o2+ic3h7<=>ch3o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 6.573e+14 -0.258 3.156e+04 / nc3h7o2<=>nc3h7 + o2 2.400e+20 -1.616 3.596e+04 rev/ 4.520e+12 0.000 0.000e+00 / ic3h7o2<=>ic3h7 + o2 3.132e+22 -2.167 3.816e+04 rev/ 7.540e+12 0.000 0.000e+00 / nc3h7o2+ch2o<=>nc3h7o2h+hco 5.600e+12 0.000 1.360e+04 rev/ 8.000e+11 0.000 1.000e+04 / nc3h7o2+ch3cho<=>nc3h7o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ic3h7o2+ch2o<=>ic3h7o2h+hco 5.600e+12 0.000 1.360e+04 rev/ 8.000e+11 0.000 1.000e+04 / ic3h7o2+ch3cho<=>ic3h7o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / nc3h7o2+ho2<=>nc3h7o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.841e+13 -0.795 3.361e+04 / ic3h7o2+ho2<=>ic3h7o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.855e+13 -0.796 3.361e+04 / c2h4+nc3h7o2<=>c2h3+nc3h7o2h 1.130e+13 0.000 3.043e+04 rev/ 3.000e+12 0.000 1.150e+04 / c2h4+ic3h7o2<=>c2h3+ic3h7o2h 1.130e+13 0.000 3.043e+04 rev/ 3.000e+12 0.000 1.150e+04 / ch3oh+nc3h7o2<=>ch2oh+nc3h7o2h 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / ch3oh+ic3h7o2<=>ch2oh+ic3h7o2h 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / c2h3cho+nc3h7o2<=>c2h3co+nc3h7o2h 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / c2h3cho+ic3h7o2<=>c2h3co+ic3h7o2h 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ch4+nc3h7o2<=>ch3+nc3h7o2h 1.120e+13 0.000 2.464e+04 rev/ 7.430e+11 0.000 5.500e+03 / ch4+ic3h7o2<=>ch3+ic3h7o2h 1.120e+13 0.000 2.464e+04 rev/ 7.430e+11 0.000 5.500e+03 / nc3h7o2+ch3o2<=>nc3h7o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2+ch3o2<=>ic3h7o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2+nc3h7o2<=>h+nc3h7o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / h2+ic3h7o2<=>h+ic3h7o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / ic3h7o2+c2h6<=>ic3h7o2h+c2h5 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / nc3h7o2+c2h6<=>nc3h7o2h+c2h5 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic3h7o2+c2h5cho<=>ic3h7o2h+c2h5co 2.000e+11 0.000 9.500e+03 rev/ 5.000e+09 0.000 1.000e+04 / nc3h7o2+c2h5cho<=>nc3h7o2h+c2h5co 2.000e+11 0.000 9.500e+03 rev/ 5.000e+09 0.000 1.000e+04 / ic3h7o2+ch3co3<=>ic3h7o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / nc3h7o2+ch3co3<=>nc3h7o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2+c2h5o2<=>ic3h7o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / nc3h7o2+c2h5o2<=>nc3h7o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2+ic3h7o2<=>o2+ic3h7o+ic3h7o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / nc3h7o2+nc3h7o2<=>o2+nc3h7o+nc3h7o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2+nc3h7o2<=>ic3h7o+nc3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2+ch3<=>ic3h7o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.145e+11 0.695 2.672e+04 / ic3h7o2+c2h5<=>ic3h7o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 1.628e+13 0.094 2.913e+04 / ic3h7o2+ic3h7<=>ic3h7o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 2.778e+13 0.261 2.980e+04 / ic3h7o2+nc3h7<=>ic3h7o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.644e+13 0.125 2.780e+04 / ic3h7o2+c3h5-a<=>ic3h7o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 4.242e+09 0.877 1.414e+04 / nc3h7o2+ch3<=>nc3h7o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 5.303e+12 0.009 2.692e+04 / nc3h7o2+c2h5<=>nc3h7o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 7.540e+14 -0.592 2.933e+04 / nc3h7o2+ic3h7<=>nc3h7o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.286e+15 -0.425 3.000e+04 / nc3h7o2+nc3h7<=>nc3h7o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 7.612e+14 -0.561 2.800e+04 / nc3h7o2+c3h5-a<=>nc3h7o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 1.964e+11 0.191 1.434e+04 / nc3h7o2h<=>nc3h7o + oh 1.500e+16 0.000 4.250e+04 rev/ 1.143e+08 1.719 -4.034e+03 / ic3h7o2h<=>ic3h7o + oh 9.450e+15 0.000 4.260e+04 !rev/ 1.550e+06 2.406 -4.132e+03 / rev/ 1.0e15 -0.8 0.0 / ! wjp: est. (kr from thermo above collisional.) nc3h7o<=>c2h5+ch2o 2.716e+21 -2.449 1.570e+04 rev/ 1.000e+11 0.000 3.496e+03 / nc3h7o<=>c2h5cho+h 8.899e+10 0.746 1.980e+04 rev/ 4.000e+12 0.000 6.260e+03 / ic3h7o<=>ch3+ch3cho 5.328e+19 -1.696 1.714e+04 rev/ 1.000e+11 0.000 9.256e+03 / ic3h7o<=>ch3coch3+h 8.663e+14 -0.483 2.008e+04 rev/ 2.000e+12 0.000 7.270e+03 / ic3h7o + o2<=>ch3coch3+ho2 9.090e+09 0.000 3.900e+02 rev/ 1.000e+11 0.000 3.200e+04 / nc3h7o2<=>c3h6ooh1-2 6.000e+11 0.000 2.685e+04 rev/ 1.117e+08 0.583 1.172e+04 / nc3h7o2<=>c3h6ooh1-3 1.125e+11 0.000 2.400E+04 rev/ 2.716e+11 -0.507 8.936e+03 / ic3h7o2<=>c3h6ooh2-1 1.800e+12 0.000 2.940e+04 rev/ 1.122e+10 0.119 1.181e+04 / ic3h7o2<=>c3h6ooh2-2 1.230e+35 -6.960 4.888e+04 rev/ 2.384e+34 -7.060 4.494e+04 / c3h6ooh1-2<=>c3h6o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 1.150e+11 0.490 3.837e+04 / c3h6ooh1-3<=>c3h6o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 1.186e+06 1.765 2.871e+04 / c3h6ooh2-1<=>c3h6o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 2.780e+08 1.191 3.609e+04 / c3h6ooh1-2<=>c3h6+ho2 7.834e+15 -1.300 1.595e+04 rev/ 1.000e+11 0.000 1.100e+04 / c3h6ooh2-1<=>c3h6+ho2 3.239e+18 -2.000 1.897e+04 rev/ 1.000e+11 0.000 1.175e+04 / c3h6ooh1-3<=>oh+ch2o+c2h4 3.035e+15 -0.790 2.740e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6ooh2-1<=>c2h3ooh+ch3 6.540e+27 -5.140 3.832e+04 rev/ 4.460e+22 -4.240 1.063e+04 / c3h6ooh1-2<=>c2h4+ch2o + oh 1.310e+33 -7.010 4.812e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6ooh2-2<=>ch3coch3 + oh 9.000e+14 0.000 1.500e+03 rev/ 1.021e+14 0.310 3.675e+04 / c3h6ooh1-2o2<=>c3h6ooh1-2 + o2 2.391e+25 -2.945 4.010e+04 rev/ 5.000e+12 0.000 0.000e+00 / c3h6ooh1-3o2<=>c3h6ooh1-3 + o2 2.853e+20 -1.626 3.569e+04 rev/ 4.520e+12 0.000 0.000e+00 / c3h6ooh2-1o2<=>c3h6ooh2-1 + o2 5.227e+22 -2.244 3.782e+04 rev/ 4.520e+12 0.000 0.000e+00 / c3h6ooh1-2o2<=>c3ket12 + oh 6.000e+11 0.000 2.600E+04 rev/ 9.249e+04 1.329 4.892e+04 / c3h6ooh1-3o2<=>c3ket13 + oh 7.500e+10 0.000 2.100E+04 rev/ 4.101e+03 1.496 4.474e+04 / c3h6ooh2-1o2<=>c3ket21 + oh 3.000e+11 0.000 2.345E+04 rev/ 1.397e+03 1.834 4.975e+04 / c3h6ooh2-1o2<=>c3h51-2,3ooh 1.125e+11 0.000 2.400E+04 rev/ 2.391e+11 -0.499 8.920e+03 / c3h6ooh1-2o2<=>c3h51-2,3ooh 9.000e+11 0.000 2.940e+04 rev/ 1.913e+12 -0.499 1.392e+04 / c3h51-2,3ooh<=>ac3h5ooh+ho2 2.560e+13 -0.490 1.777e+04 rev/ 3.180e+15 -1.160 1.204e+04 / c3h52-1,3ooh<=>c3h6ooh1-3o2 1.255e+12 -0.360 1.394e+04 rev/ 6.000e+11 0.000 2.685e+04 / c3h52-1,3ooh<=>ac3h5ooh+ho2 1.150e+14 -0.630 1.725e+04 rev/ 1.564e+11 0.120 1.020e+04 / c3ket12<=>ch3cho+hco + oh 9.450e+15 0.000 4.300e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3ket13<=>ch2o+ch2cho + oh 1.000e+16 0.000 4.300e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3ket21<=>ch2o+ch3co + oh 1.000e+16 0.000 4.300e+04 rev/ 0.000e+00 0.000 0.000e+00 / ac3h5ooh<=>c3h5o + oh 3.880e+19 -1.460 4.537e+04 rev/ 2.000e+13 0.000 0.000e+00 / c3h5o<=>c2h3cho+h 1.000e+14 0.000 2.910e+04 rev/ 1.676e+14 -0.156 1.969e+04 / c3h5o<=>c2h3+ch2o 1.464e+20 -1.968 3.509e+04 rev/ 1.500e+11 0.000 1.060e+04 / c3h5o + o2<=>c2h3cho+ho2 1.000e+12 0.000 6.000e+03 rev/ 1.288e+11 0.000 3.200e+04 / c2h3ooh<=>ch2cho + oh 8.400e+14 0.000 4.300e+04 rev/ 1.000e+11 0.000 0.000e+00 / c3h6o1-2<=>c2h4+ch2o 6.000e+14 0.000 6.000e+04 rev/ 2.970e+11 1.000 3.108e+04 / c3h6o1-2 + oh<=>ch2o+c2h3+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-2+h<=>ch2o+c2h3+h2 2.630e+07 2.000 5.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-2+o<=>ch2o+c2h3 + oh 8.430e+13 0.000 5.200e+03 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-2+ho2=>ch2o+c2h3+h2o2 1.000e+13 0.000 1.500e+04 !reverse rate from thermo above collisional. !rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-2+ch3o2<=>ch2o+c2h3+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-2+ch3<=>ch2o+c2h3+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3<=>c2h4+ch2o 6.000e+14 0.000 6.000e+04 rev/ 2.970e+11 0.000 3.108e+04 / c3h6o1-3 + oh<=>ch2o+c2h3+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3+o<=>ch2o+c2h3 + oh 8.430e+13 0.000 5.200e+03 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3+h<=>ch2o+c2h3+h2 2.630e+07 2.000 5.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3+ch3o2<=>ch2o+c2h3+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3+ho2<=>ch2o+c2h3+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c3h6o1-3+ch3<=>ch2o+c2h3+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic3h7o2<=>c3h6+ho2 1.015e+43 -9.409 4.149e+04 rev/ 1.954e+33 -7.289 1.667e+04 / nc3h7o2<=>c3h6+ho2 5.044e+38 -8.112 4.049e+04 rev/ 1.198e+30 -6.229 2.042e+04 / ! new TROE fits from Wayne (nov 3, 2010) c4h10(+m)<=>c2h5+c2h5(+m) 1.3554e+037 -6.036 9.2929e+04 low / 4.7200e+018 0.000 4.9578e+04 / troe / 7.9982e-02 1.0000e-20 3.2428e+04 4.8582e+03 / ! c4h10(+m)<=>nc3h7+ch3(+m) 6.5998e+052 -10.626 1.0033e+05 low / 5.3400e+017 0.000 4.2959e+04 / troe / 9.5015e-02 1.0000e-20 5.3476e+03 4.3256e+03 / ! ! c4h10<=>pc4h9+h 1.344e+17 -0.356 1.012e+05 rev/ 3.610e+13 0.000 0.000e+00 / c4h10<=>sc4h9+h 1.975e+18 -0.694 9.872e+04 rev/ 3.610e+13 0.000 0.000e+00 / c4h10 + o2<=>pc4h9+ho2 6.000e+13 0.000 5.234e+04 rev/ 3.377e+10 0.284 -1.900e+01 / c4h10 + o2<=>sc4h9+ho2 4.000e+13 0.000 4.980e+04 rev/ 1.532e+09 0.622 -4.900e+01 / c4h10+c3h5-a<=>pc4h9+c3h6 7.940e+11 0.000 2.050e+04 rev/ 1.000e+12 0.000 2.000e+04 / c4h10+c3h5-a<=>sc4h9+c3h6 3.160e+11 0.000 1.640e+04 rev/ 1.000e+12 0.000 2.000e+04 / c4h10+c2h5<=>pc4h9+c2h6 1.580e+11 0.000 1.230e+04 rev/ 3.560e+10 0.000 1.292e+04 / c4h10+c2h5<=>sc4h9+c2h6 1.000e+11 0.000 1.040e+04 rev/ 7.120e+10 0.000 9.917e+03 / c4h10+c2h3<=>pc4h9+c2h4 1.000e+12 0.000 1.800e+04 rev/ 2.570e+12 0.000 2.538e+04 / c4h10+c2h3<=>sc4h9+c2h4 8.000e+11 0.000 1.680e+04 rev/ 2.050e+12 0.000 2.418e+04 / c4h10+ch3<=>pc4h9+ch4 9.040e-01 3.650 7.154e+03 rev/ 8.853e-02 3.836 1.102e+04 / c4h10+ch3<=>sc4h9+ch4 3.020e+00 3.460 5.481e+03 rev/ 2.013e-02 3.984 1.186e+04 / c4h10+h<=>pc4h9+h2 1.880e+05 2.750 6.280e+03 rev/ 2.018e+01 3.382 8.610e+03 / c4h10+h<=>sc4h9+h2 2.600e+06 2.400 4.471e+03 rev/ 1.900e+01 3.370 9.311e+03 / c4h10 + oh<=>pc4h9+h2o 1.054e+10 0.970 1.586e+03 rev/ 1.200e+07 1.496 1.881e+04 / c4h10 + oh<=>sc4h9+h2o 9.340e+07 1.610 -3.500e+01 rev/ 7.235e+03 2.474 1.970e+04 / c4h10+o<=>pc4h9 + oh 1.130e+14 0.000 7.850e+03 rev/ 1.480e+13 0.000 1.224e+04 / c4h10+o<=>sc4h9 + oh 5.620e+13 0.000 5.200e+03 rev/ 7.350e+12 0.000 9.590e+03 / c4h10+ho2<=>pc4h9+h2o2 4.080e+01 3.590 1.716e+04 rev/ 2.534e+00 3.527 3.490e+03 / c4h10+ho2<=>sc4h9+h2o2 1.264e+02 3.370 1.372e+04 rev/ 5.343e-01 3.645 2.558e+03 / c4h10+ch3o<=>pc4h9+ch3oh 3.000e+11 0.000 7.000e+03 rev/ 1.220e+10 0.000 5.000e+04 / c4h10+ch3o<=>sc4h9+ch3oh 6.000e+11 0.000 7.000e+03 rev/ 2.441e+10 0.000 5.000e+04 / c4h10+c2h5o<=>pc4h9+c2h5oh 3.000e+11 0.000 7.000e+03 rev/ 1.000e+10 0.000 9.000e+03 / c4h10+c2h5o<=>sc4h9+c2h5oh 6.000e+11 0.000 7.000e+03 rev/ 1.000e+10 0.000 9.000e+03 / c4h10+pc4h9<=>sc4h9+c4h10 1.000e+11 0.000 1.040e+04 rev/ 1.500e+11 0.000 1.230e+04 / c4h10+ch3co3<=>pc4h9+ch3co3h 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / c4h10+ch3co3<=>sc4h9+ch3co3h 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / c4h10 + o2cho<=>pc4h9+ho2cho 1.680e+13 0.000 2.044e+04 rev/ 3.680e+00 2.990 2.505e+03 / c4h10 + o2cho<=>sc4h9+ho2cho 1.120e+13 0.000 1.769e+04 rev/ 7.595e+03 2.060 4.266e+03 / ch3o2+c4h10<=>ch3o2h+pc4h9 1.386e+00 3.970 1.828e+04 rev/ 1.675e+00 3.462 3.016e+03 / ch3o2+c4h10<=>ch3o2h+sc4h9 2.037e+01 3.580 1.481e+04 rev/ 1.675e+00 3.410 2.050e+03 / c2h5o2+c4h10<=>c2h5o2h+pc4h9 4.080e+01 3.590 1.716e+04 rev/ 4.938e+01 3.082 1.899e+03 / c2h5o2+c4h10<=>c2h5o2h+sc4h9 1.264e+02 3.370 1.372e+04 rev/ 1.041e+01 3.200 9.670e+02 / nc3h7o2+c4h10<=>nc3h7o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / nc3h7o2+c4h10<=>nc3h7o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic3h7o2+c4h10<=>ic3h7o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic3h7o2+c4h10<=>ic3h7o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9o2+c3h8<=>pc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9o2+c3h8<=>pc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9o2+c4h10<=>pc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9o2+c4h10<=>pc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / sc4h9o2+c3h8<=>sc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / sc4h9o2+c3h8<=>sc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 5.000e+11 0.000 6.500e+03 / sc4h9o2+c4h10<=>sc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / sc4h9o2+c4h10<=>sc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9<=>c2h5+c2h4 3.504e+12 0.463 2.947e+04 rev/ 1.320e+04 2.480 6.130e+03 / sc4h9<=>c3h6+ch3 4.803e+10 1.044 3.035e+04 rev/ 1.760e+04 2.480 6.130e+03 / pc4h9<=>c4h8-1+h 2.622e+12 0.253 3.570e+04 rev/ 2.500e+11 0.510 2.620e+03 / sc4h9<=>c4h8-2+h 2.844e+11 0.337 3.552e+04 rev/ 2.500e+11 0.510 2.620e+03 / sc4h9<=>c4h8-1+h 3.027e+11 0.591 3.682e+04 rev/ 4.240e+11 0.510 1.230e+03 / pc4h9 + o2<=>c4h8-1+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / sc4h9 + o2<=>c4h8-1+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / sc4h9 + o2<=>c4h8-2+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / c4h8-1<=>c3h5-a+ch3 5.081e+19 -1.256 7.651e+04 rev/ 1.350e+13 0.000 0.000e+00 / c4h8-1<=>c2h3+c2h5 2.882e+23 -1.990 1.016e+05 rev/ 9.000e+12 0.000 0.000e+00 / c4h8-1<=>h+c4h71-3 3.724e+14 -0.111 8.520e+04 rev/ 5.000e+13 0.000 0.000e+00 / c4h8-1 + o2<=>c4h71-3+ho2 2.000e+13 0.000 3.719e+04 rev/ 4.653e+12 0.070 -1.680e+02 / c4h8-1+h<=>c4h71-1+h2 7.810e+05 2.500 1.229e+04 rev/ 2.213e+05 2.360 6.469e+03 / c4h8-1+h<=>c4h71-2+h2 3.900e+05 2.500 5.821e+03 rev/ 2.558e+04 2.550 2.125e+03 / c4h8-1+h<=>c4h71-3+h2 3.376e+05 2.360 2.070e+02 rev/ 4.323e+06 2.100 2.033e+04 / c4h8-1+h<=>c4h71-4+h2 6.651e+05 2.540 6.756e+03 rev/ 3.045e+04 2.540 1.103e+04 / c4h8-1 + oh<=>c4h71-1+h2o 2.140e+06 2.000 2.778e+03 rev/ 2.625e+06 1.860 1.212e+04 / c4h8-1 + oh<=>c4h71-2+h2o 2.220e+06 2.000 1.451e+03 rev/ 6.304e+05 2.050 1.291e+04 / c4h8-1 + oh<=>c4h71-3+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.532e+06 2.380 3.336e+04 / c4h8-1 + oh<=>c4h71-4+h2o 5.270e+09 0.970 1.586e+03 rev/ 1.044e+09 0.970 2.101e+04 / c4h8-1+ch3<=>c4h71-3+ch4 3.690e+00 3.310 4.002e+03 rev/ 1.234e+03 3.050 2.461e+04 / c4h8-1+ch3<=>c4h71-4+ch4 4.520e-01 3.650 7.154e+03 rev/ 5.405e-01 3.650 1.191e+04 / c4h8-1+ho2<=>c4h71-3+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.586e+06 1.960 1.435e+04 / c4h8-1+ho2<=>c4h71-4+h2o2 2.380e+03 2.550 1.649e+04 rev/ 2.800e+03 2.220 4.460e+03 / c4h8-1+ch3o2<=>c4h71-3+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 3.303e+06 1.790 1.133e+04 / c4h8-1+ch3o2<=>c4h71-4+ch3o2h 2.380e+03 2.550 1.649e+04 rev/ 5.831e+03 2.040 1.440e+03 / c4h8-1+ch3o<=>c4h71-3+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 2.470e+02 2.670 2.700e+04 / c4h8-1+ch3o<=>c4h71-4+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 4.789e+09 0.020 9.002e+03 / c4h8-1+ch3co3<=>c4h71-3+ch3co3h 1.000e+11 0.000 8.000e+03 rev/ 2.000e+10 0.000 1.000e+04 / c4h8-1+c3h5-a<=>c4h71-3+c3h6 7.900e+10 0.000 1.240e+04 rev/ 1.000e+11 0.000 1.750e+04 / c4h8-1+c4h6<=>c4h71-3+c4h71-3 2.350e+12 0.000 4.672e+04 rev/ 1.600e+12 0.000 0.000e+00 / c4h8-1+c2h5o2<=>c4h71-3+c2h5o2h 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / c4h8-1+nc3h7o2<=>c4h71-3+nc3h7o2h 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / c4h8-1+ic3h7o2<=>c4h71-3+ic3h7o2h 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / c4h8-1+pc4h9o2<=>c4h71-3+pc4h9o2h 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / c4h8-1+sc4h9o2<=>c4h71-3+sc4h9o2h 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / c4h8-1+ch3o2<=>c4h8o1-2+ch3o 1.000e+12 0.000 1.434e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8-2<=>h+c4h71-3 2.337e+14 0.143 8.789e+04 rev/ 5.000e+13 0.000 0.000e+00 / c4h8-2 + o2<=>c4h71-3+ho2 4.000e+13 0.000 3.939e+04 rev/ 1.350e+13 -0.180 -9.240e+02 / c4h8-2+h<=>c4h71-3+h2 3.460e+05 2.500 2.492e+03 rev/ 6.428e+06 1.990 1.966e+04 / c4h8-2 + oh<=>c4h71-3+h2o 6.240e+06 2.000 -2.980e+02 rev/ 5.019e+08 1.490 3.202e+04 / c4h8-2+ch3<=>c4h71-3+ch4 4.420e+00 3.500 5.675e+03 rev/ 2.145e+03 2.990 2.332e+04 / c4h8-2+ho2<=>c4h71-3+h2o2 1.928e+04 2.600 1.391e+04 rev/ 9.205e+06 1.770 1.477e+04 / c4h8-2+ch3o2<=>c4h71-3+ch3o2h 1.928e+04 2.600 1.391e+04 rev/ 1.917e+07 1.590 1.175e+04 / c4h8-2+ch3o<=>c4h71-3+ch3oh 1.800e+01 2.950 1.199e+04 rev/ 1.612e+02 2.470 2.742e+04 / c4h8-2+c2h5o2<=>c4h71-3+c2h5o2h 3.200e+12 0.000 1.490e+04 rev/ 1.585e+11 0.000 1.470e+04 / c4h8-2+nc3h7o2<=>c4h71-3+nc3h7o2h 3.200e+12 0.000 1.490e+04 rev/ 1.585e+11 0.000 1.470e+04 / c4h8-2+ic3h7o2<=>c4h71-3+ic3h7o2h 3.200e+12 0.000 1.490e+04 rev/ 1.585e+11 0.000 1.470e+04 / c4h8-2+pc4h9o2<=>c4h71-3+pc4h9o2h 3.200e+12 0.000 1.490e+04 rev/ 1.585e+11 0.000 1.470e+04 / c4h8-2+sc4h9o2<=>c4h71-3+sc4h9o2h 3.200e+12 0.000 1.490e+04 rev/ 1.585e+11 0.000 1.470e+04 / c4h8-1+ho2<=>c4h8o1-2 + oh 1.000e+12 0.000 1.434e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8-2+ho2<=>c4h8o2-3 + oh 5.620e+11 0.000 1.231e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8-2+ch3o2<=>c4h8o2-3+ch3o 5.620e+11 0.000 1.231e+04 rev/ 0.000e+00 0.000 0.000e+00 / pc4h8oh<=>c4h8-1 + oh 1.079e+16 -0.699 2.809e+04 rev/ 4.750e+12 0.000 -7.820e+02 / sc4h8oh<=>c4h8-2 + oh 3.379e+17 -1.253 2.992e+04 rev/ 4.750e+12 0.000 -7.820e+02 / c4h8oh-1o2<=>pc4h8oh + o2 6.753e+20 -1.944 3.552e+04 rev/ 2.000e+12 0.000 0.000e+00 / c4h8oh-2o2<=>sc4h8oh + o2 7.686e+20 -1.968 3.551e+04 rev/ 2.000e+12 0.000 0.000e+00 / c4h8oh-1o2<=>c2h5cho+ch2o + oh 1.000e+16 0.000 2.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8oh-2o2<=>oh+ch3cho+ch3cho 1.000e+16 0.000 2.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h71-1<=>c2h2+c2h5 1.066e+15 -0.560 3.032e+04 rev/ 2.000e+11 0.000 7.800e+03 / c4h71-2<=>c3h4-a+ch3 9.589e+14 -0.710 3.126e+04 rev/ 2.000e+11 0.000 7.800e+03 / c4h71-4<=>c2h4+c2h3 8.766e+12 -0.220 3.629e+04 rev/ 2.000e+11 0.000 7.800e+03 / ! ! c4h71-4<=>c4h6+h 3.00e+13 0.00 3.500e+04 !!!added 1984wei/ben307-333 ! ! c4h72-2<=>c3h4-p+ch3 6.326e+10 0.520 3.002e+04 rev/ 1.000e+11 0.000 7.800e+03 / c4h71-3<=>c4h6+h 1.200e+14 0.000 4.930e+04 rev/ 4.000e+13 0.000 1.300e+03 / c4h71-3+c2h5<=>c4h8-1+c2h4 2.590e+12 0.000 -1.310e+02 rev/ 1.149e+13 0.060 4.944e+04 / c4h71-3+ch3o<=>c4h8-1+ch2o 2.410e+13 0.000 0.000e+00 rev/ 2.482e+12 0.280 6.633e+04 / c4h71-3+o<=>c2h3cho+ch3 6.030e+13 0.000 0.000e+00 rev/ 3.385e+15 -0.780 8.163e+04 / c4h71-3+ho2<=>c4h7o + oh 9.640e+12 0.000 0.000e+00 rev/ 7.290e+15 -1.090 1.553e+04 / c4h71-3+ch3o2<=>c4h7o+ch3o 9.640e+12 0.000 0.000e+00 rev/ 7.120e+17 -1.670 2.029e+04 / c3h5-a+c4h71-3<=>c3h6+c4h6 6.310e+12 0.000 0.000e+00 rev/ 1.000e+10 0.000 5.000e+04 / c4h71-3 + o2<=>c4h6+ho2 1.000e+09 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.700e+04 / h+c4h71-3<=>c4h6+h2 3.160e+13 0.000 0.000e+00 rev/ 1.066e+13 0.000 5.681e+04 / c2h5+c4h71-3<=>c4h6+c2h6 3.980e+12 0.000 0.000e+00 rev/ 3.211e+12 0.000 4.984e+04 / c2h3+c4h71-3<=>c2h4+c4h6 3.980e+12 0.000 0.000e+00 rev/ 1.157e+13 0.000 5.771e+04 / c4h71-3+c2h5o2<=>c4h7o+c2h5o 3.800e+12 0.000 -1.200e+03 rev/ 2.000e+10 0.000 0.000e+00 / ic3h7o2+c4h71-3<=>ic3h7o+c4h7o 3.800e+12 0.000 -1.200e+03 rev/ 2.000e+10 0.000 0.000e+00 / nc3h7o2+c4h71-3<=>nc3h7o+c4h7o 3.800e+12 0.000 -1.200e+03 rev/ 2.000e+10 0.000 0.000e+00 / c4h7o<=>ch3cho+c2h3 7.940e+14 0.000 1.900e+04 rev/ 1.000e+10 0.000 2.000e+04 / c4h7o<=>c2h3cho+ch3 7.940e+14 0.000 1.900e+04 rev/ 1.000e+10 0.000 2.000e+04 / c4h6<=>c2h3+c2h3 4.027e+19 -1.000 9.815e+04 rev/ 1.260e+13 0.000 0.000e+00 / c4h6 + oh<=>c2h5+ch2co 1.000e+12 0.000 0.000e+00 rev/ 3.730e+12 0.000 3.002e+04 / c4h6 + oh<=>ch2o+c3h5-a 1.000e+12 0.000 0.000e+00 rev/ 3.501e+06 0.000 7.106e+04 / c4h6 + oh<=>c2h3+ch3cho 1.000e+12 0.000 0.000e+00 rev/ 5.437e+11 0.000 1.855e+04 / c4h6+o<=>c2h4+ch2co 1.000e+12 0.000 0.000e+00 rev/ 6.377e+11 0.000 9.434e+04 / c4h6+o<=>ch2o+c3h4-a 1.000e+12 0.000 0.000e+00 rev/ 1.075e+12 0.000 7.905e+04 / c2h3+c2h4<=>c4h6+h 5.000e+11 0.000 7.300e+03 rev/ 1.000e+13 0.000 4.700e+03 / c4h8o1-2 + oh<=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-2+h<=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-2+o<=>ch2o+c3h5-a + oh 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-2+ho2<=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-2+ch3o2<=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-2+ch3<=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3 + oh<=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3+h<=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3+o<=>ch2o+c3h5-a + oh 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3+ho2<=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3+ch3o2<=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-3+ch3<=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4 + oh<=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4+h<=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4+o<=>ch2o+c3h5-a + oh 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4+ho2<=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4+ch3o2<=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o1-4+ch3<=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3 + oh<=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3+h<=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3+o<=>ch2o+c3h5-a + oh 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3+ho2<=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3+ch3o2<=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8o2-3+ch3<=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2<=>pc4h9 + o2 2.849e+20 -1.642 3.593e+04 rev/ 4.520e+12 0.000 0.000e+00 / sc4h9o2<=>sc4h9 + o2 4.329e+22 -2.216 3.816e+04 rev/ 7.540e+12 0.000 0.000e+00 / sc4h9o2+ch2o<=>sc4h9o2h+hco 5.600e+12 0.000 1.360e+04 rev/ 8.000e+11 0.000 1.000e+04 / sc4h9o2+ch3cho<=>sc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / sc4h9o2+ho2<=>sc4h9o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.861e+13 -0.796 3.362e+04 / ic3h7o2+pc4h9<=>ic3h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.281e+13 0.075 2.748e+04 / ic3h7o2+sc4h9<=>ic3h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 3.942e+15 -0.417 2.919e+04 / nc3h7o2+pc4h9<=>nc3h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.056e+15 -0.611 2.768e+04 / nc3h7o2+sc4h9<=>nc3h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.825e+17 -1.103 2.939e+04 / sc4h9o2+sc4h9o2<=>o2+sc4h9o+sc4h9o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+nc3h7o2<=>sc4h9o+nc3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+ic3h7o2<=>sc4h9o+ic3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+c2h5o2<=>sc4h9o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+ch3o2<=>sc4h9o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+ch3co3<=>sc4h9o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+ho2=>pc4h9o + oh + o2 1.400e-14 -1.610 1.860e+03 !rev/ 0.000e+00 0.000 0.000e+00 / sc4h9o2+ho2=>sc4h9o + oh + o2 1.400e-14 -1.610 1.860e+03 !rev/ 0.000e+00 0.000 0.000e+00 / h2+pc4h9o2<=>h+pc4h9o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / h2+sc4h9o2<=>h+sc4h9o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / c2h6+pc4h9o2<=>c2h5+pc4h9o2h 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / c2h6+sc4h9o2<=>c2h5+sc4h9o2h 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / pc4h9o2+c2h5cho<=>pc4h9o2h+c2h5co 2.000e+11 0.000 9.500e+03 rev/ 5.000e+09 0.000 1.000e+04 / sc4h9o2+c2h5cho<=>sc4h9o2h+c2h5co 2.000e+11 0.000 9.500e+03 rev/ 5.000e+09 0.000 1.000e+04 / sc4h9o2+ch3<=>sc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.176e+13 0.067 2.611e+04 / sc4h9o2+c2h5<=>sc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 1.672e+15 -0.534 2.852e+04 / sc4h9o2+ic3h7<=>sc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 2.852e+15 -0.367 2.919e+04 / sc4h9o2+nc3h7<=>sc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.688e+15 -0.503 2.719e+04 / sc4h9o2+pc4h9<=>sc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.342e+15 -0.553 2.687e+04 / sc4h9o2+sc4h9<=>sc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 4.048e+17 -1.045 2.858e+04 / sc4h9o2+c3h5-a<=>sc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 4.356e+11 0.249 1.353e+04 / pc4h9o2+ch2o<=>pc4h9o2h+hco 5.600e+12 0.000 1.360e+04 rev/ 8.000e+11 0.000 1.000e+04 / pc4h9o2+ch3cho<=>pc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / pc4h9o2+ho2<=>pc4h9o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 4.357e+13 -0.813 3.363e+04 / c3h6+pc4h9o2<=>c3h5-a+pc4h9o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c3h6+sc4h9o2<=>c3h5-a+sc4h9o2h 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / c2h4+pc4h9o2<=>c2h3+pc4h9o2h 1.130e+13 0.000 3.043e+04 rev/ 3.000e+12 0.000 1.150e+04 / c2h4+sc4h9o2<=>c2h3+sc4h9o2h 1.130e+13 0.000 3.043e+04 rev/ 3.000e+12 0.000 1.150e+04 / ch3oh+pc4h9o2<=>ch2oh+pc4h9o2h 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / ch3oh+sc4h9o2<=>ch2oh+sc4h9o2h 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / c2h3cho+pc4h9o2<=>c2h3co+pc4h9o2h 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / c2h3cho+sc4h9o2<=>c2h3co+sc4h9o2h 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ch4+pc4h9o2<=>ch3+pc4h9o2h 1.120e+13 0.000 2.464e+04 rev/ 7.430e+11 0.000 5.500e+03 / ch4+sc4h9o2<=>ch3+sc4h9o2h 1.120e+13 0.000 2.464e+04 rev/ 7.430e+11 0.000 5.500e+03 / c4h71-3+pc4h9o2<=>c4h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.186e+14 -0.763 1.610e+04 / c4h71-3+sc4h9o2<=>c4h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.251e+14 -0.680 1.558e+04 / h2o2+pc4h9o2<=>ho2+pc4h9o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / h2o2+sc4h9o2<=>ho2+sc4h9o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / pc4h9o2+pc4h9o2<=>o2+pc4h9o+pc4h9o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+sc4h9o2<=>pc4h9o+sc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+nc3h7o2<=>pc4h9o+nc3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+ic3h7o2<=>pc4h9o+ic3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+c2h5o2<=>pc4h9o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+ch3o2<=>pc4h9o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+ch3co3<=>pc4h9o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc4h9o2+ch3<=>pc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 6.199e+12 -0.015 2.663e+04 / pc4h9o2+c2h5<=>pc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 8.813e+14 -0.617 2.904e+04 / pc4h9o2+ic3h7<=>pc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.503e+15 -0.450 2.971e+04 / pc4h9o2+nc3h7<=>pc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 8.898e+14 -0.586 2.771e+04 / pc4h9o2+pc4h9<=>pc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.235e+15 -0.636 2.739e+04 / pc4h9o2+sc4h9<=>pc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.134e+17 -1.128 2.910e+04 / pc4h9o2+c3h5-a<=>pc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 2.296e+11 0.167 1.405e+04 / pc4h9+ho2<=>pc4h9o + oh 7.000e+12 0.000 -1.000e+03 rev/ 8.630e+15 -0.743 2.500e+04 / sc4h9+ho2<=>sc4h9o + oh 7.000e+12 0.000 -1.000e+03 rev/ 1.491e+18 -1.234 2.671e+04 / ch3o2+pc4h9<=>ch3o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 5.398e+14 -0.444 2.924e+04 / ch3o2+sc4h9<=>ch3o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 9.329e+16 -0.936 3.095e+04 / pc4h9o2h<=>pc4h9o + oh 1.500e+16 0.000 4.250e+04 rev/ 1.178e+08 1.712 -4.342e+03 / sc4h9o2h<=>sc4h9o + oh 9.450e+15 0.000 4.160e+04 !rev/ 1.589e+08 1.778 -5.752e+03 / rev/ 1.0e15 -0.8 0.0 / ! wjp: est. (kr from thermo above collisional.) pc4h9o<=>nc3h7+ch2o 1.558e+21 -2.444 1.523e+04 rev/ 5.000e+10 0.000 3.457e+03 / sc4h9o<=>ch3+c2h5cho 4.381e+16 -0.893 1.520e+04 rev/ 5.000e+10 0.000 9.043e+03 / sc4h9o<=>c2h5+ch3cho 5.489e+22 -2.757 1.265e+04 rev/ 3.330e+10 0.000 6.397e+03 / pc4h9o2<=>c4h8ooh1-2 2.000e+11 0.000 2.685e+04 rev/ 5.597e+08 0.339 1.197e+04 / pc4h9o2<=>c4h8ooh1-3 2.500e+10 0.000 2.085e+04 rev/ 3.231e+09 -0.136 7.871e+03 / pc4h9o2<=>c4h8ooh1-4 4.688e+09 0.000 2.195E+04 rev/ 1.269e+10 -0.523 6.900e+03 / sc4h9o2<=>c4h8ooh2-1 3.000e+11 0.000 2.940e+04 rev/ 7.442e+11 -0.511 1.394e+04 / sc4h9o2<=>c4h8ooh2-3 2.000e+11 0.000 2.685e+04 rev/ 3.994e+10 -0.196 1.393e+04 / sc4h9o2<=>c4h8ooh2-4 3.750e+10 0.000 2.400E+04 rev/ 9.302e+10 -0.511 8.944e+03 / pc4h9o2<=>c4h8-1+ho2 5.044e+38 -8.110 4.049e+04 rev/ 1.599e+30 -6.283 2.035e+04 / sc4h9o2<=>c4h8-1+ho2 5.075e+42 -9.410 4.149e+04 rev/ 2.595e+33 -7.347 1.661e+04 / sc4h9o2<=>c4h8-2+ho2 5.044e+38 -8.110 4.049e+04 rev/ 1.618e+29 -5.793 1.830e+04 / c4h8ooh1-2<=>c4h8-1+ho2 8.828e+16 -1.488 1.626e+04 rev/ 1.000e+11 0.000 1.100e+04 / c4h8ooh2-1<=>c4h8-1+ho2 4.851e+20 -2.574 2.118e+04 rev/ 1.000e+11 0.000 1.175e+04 / c4h8ooh2-3<=>c4h8-2+ho2 6.224e+19 -2.513 2.102e+04 rev/ 1.000e+11 0.000 1.175e+04 / c4h8ooh1-2<=>c4h8o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh1-3<=>c4h8o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh1-4<=>c4h8o1-4 + oh 9.375e+09 0.000 6.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh2-1<=>c4h8o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh2-3<=>c4h8o2-3 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh2-4<=>c4h8o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh1-1<=>nc3h7cho + oh 9.000e+14 0.000 1.500e+03 rev/ 1.733e+08 1.890 3.347e+04 / c4h8ooh2-2<=>c2h5coch3 + oh 9.000e+14 0.000 1.500e+03 rev/ 1.990e+10 1.340 3.551e+04 / c4h8ooh1-3<=>oh+ch2o+c3h6 6.635e+13 -0.160 2.990e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh2-4<=>oh+ch3cho+c2h4 1.945e+18 -1.630 2.679e+04 rev/ 0.000e+00 0.000 0.000e+00 / c4h8ooh1-2o2<=>c4h8ooh1-2 + o2 2.586e+24 -2.709 3.986e+04 rev/ 7.540e+12 0.000 0.000e+00 / c4h8ooh1-3o2<=>c4h8ooh1-3 + o2 5.601e+22 -2.234 3.796e+04 rev/ 7.540e+12 0.000 0.000e+00 / c4h8ooh1-4o2<=>c4h8ooh1-4 + o2 2.569e+20 -1.611 3.568e+04 rev/ 4.520e+12 0.000 0.000e+00 / c4h8ooh2-1o2<=>c4h8ooh2-1 + o2 2.821e+20 -1.622 3.570e+04 rev/ 4.520e+12 0.000 0.000e+00 / c4h8ooh2-3o2<=>c4h8ooh2-3 + o2 4.516e+22 -2.218 3.788e+04 rev/ 7.540e+12 0.000 0.000e+00 / c4h8ooh2-4o2<=>c4h8ooh2-4 + o2 2.821e+20 -1.622 3.570e+04 rev/ 4.520e+12 0.000 0.000e+00 / c4h8ooh1-2o2<=>nc4ket12 + oh 2.000e+11 0.000 2.600E+04 rev/ 3.199e+04 1.323 4.893e+04 / c4h8ooh1-3o2<=>nc4ket13 + oh 2.500e+10 0.000 2.100E+04 rev/ 1.435e+03 1.486 4.474e+04 / c4h8ooh1-4o2<=>nc4ket14 + oh 3.125e+09 0.000 1.895E+04 rev/ 1.726e+02 1.494 4.269e+04 / c4h8ooh2-1o2<=>nc4ket21 + oh 1.000e+11 0.000 2.345E+04 rev/ 3.626e+02 1.835 5.005e+04 / c4h8ooh2-3o2<=>nc4ket23 + oh 1.000e+11 0.000 2.345E+04 rev/ 1.739e+03 1.731 4.913e+04 / c4h8ooh2-4o2<=>nc4ket24 + oh 1.250e+10 0.000 1.745E+04 rev/ 1.021e+02 1.843 4.392e+04 / nc4ket12<=>c2h5cho+hco + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc4ket13<=>ch3cho+ch2cho + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc4ket14<=>ch2ch2cho+ch2o + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc4ket21<=>ch2o+c2h5co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc4ket23<=>ch3cho+ch3co + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc4ket24<=>ch2o+ch3coch2 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c2h5coch3 + oh<=>ch2ch2coch3+h2o 7.550e+09 0.970 1.586e+03 rev/ 1.527e+09 0.960 2.102e+04 / c2h5coch3 + oh<=>ch3chcoch3+h2o 8.450e+11 0.000 -2.280e+02 rev/ 1.586e+13 -0.230 2.862e+04 / c2h5coch3 + oh<=>c2h5coch2+h2o 5.100e+11 0.000 1.192e+03 rev/ 6.628e+13 -0.700 2.767e+04 / c2h5coch3+ho2<=>ch2ch2coch3+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.857e+04 2.220 4.459e+03 / c2h5coch3+ho2<=>ch3chcoch3+h2o2 2.000e+11 0.000 8.698e+03 rev/ 2.229e+13 -0.550 6.080e+03 / c2h5coch3+ho2<=>c2h5coch2+h2o2 2.380e+04 2.550 1.469e+04 rev/ 1.836e+07 1.520 9.702e+03 / c2h5coch3+o<=>ch2ch2coch3 + oh 2.250e+13 0.000 7.700e+03 rev/ 4.616e+11 -0.010 9.882e+03 / c2h5coch3+o<=>ch3chcoch3 + oh 3.070e+13 0.000 3.400e+03 rev/ 5.847e+13 -0.230 1.500e+04 / c2h5coch3+o<=>c2h5coch2 + oh 5.000e+12 0.000 5.962e+03 rev/ 6.592e+13 -0.700 1.519e+04 / c2h5coch3+h<=>ch2ch2coch3+h2 9.160e+06 2.000 7.700e+03 rev/ 4.279e+05 1.990 1.198e+04 / c2h5coch3+h<=>ch3chcoch3+h2 4.460e+06 2.000 3.200e+03 rev/ 1.934e+07 1.770 1.689e+04 / c2h5coch3+h<=>c2h5coch2+h2 9.300e+12 0.000 6.357e+03 rev/ 2.792e+14 -0.700 1.768e+04 / c2h5coch3 + o2<=>ch2ch2coch3+ho2 2.050e+13 0.000 5.131e+04 rev/ 1.740e+10 0.320 -1.895e+03 / c2h5coch3 + o2<=>ch3chcoch3+ho2 1.550e+13 0.000 4.197e+04 rev/ 1.221e+12 0.100 -1.822e+03 / c2h5coch3 + o2<=>c2h5coch2+ho2 2.050e+13 0.000 4.915e+04 rev/ 1.118e+13 -0.370 2.988e+03 / c2h5coch3+ch3<=>ch2ch2coch3+ch4 3.190e+01 3.170 7.172e+03 rev/ 3.893e+01 3.160 1.193e+04 / c2h5coch3+ch3<=>ch3chcoch3+ch4 1.740e+00 3.460 3.680e+03 rev/ 1.971e+02 3.230 1.745E+04 / c2h5coch3+ch3<=>c2h5coch2+ch4 1.620e+11 0.000 9.630e+03 rev/ 1.270e+14 -0.700 2.143e+04 / c2h5coch3+ch3o<=>ch2ch2coch3+ch3oh 2.170e+11 0.000 6.460e+03 rev/ 4.887e+09 0.020 9.007e+03 / c2h5coch3+ch3o<=>ch3chcoch3+ch3oh 1.450e+11 0.000 2.771e+03 rev/ 3.031e+11 -0.200 1.473e+04 / c2h5coch3+ch3o<=>c2h5coch2+ch3oh 2.170e+11 0.000 4.660e+03 rev/ 3.140e+12 -0.680 1.425e+04 / c2h5coch3+ch3o2<=>ch2ch2coch3+ch3o2h 3.010e+12 0.000 1.938e+04 rev/ 7.525e+12 -0.510 4.329e+03 / c2h5coch3+ch3o2<=>ch3chcoch3+ch3o2h 2.000e+12 0.000 1.525e+04 rev/ 4.641e+14 -0.730 9.612e+03 / c2h5coch3+ch3o2<=>c2h5coch2+ch3o2h 3.010e+12 0.000 1.758e+04 rev/ 4.836e+15 -1.200 9.572e+03 / c2h5coch3+c2h3<=>ch2ch2coch3+c2h4 5.000e+11 0.000 1.040e+04 rev/ 3.436e+08 0.820 1.403e+04 / c2h5coch3+c2h3<=>ch3chcoch3+c2h4 3.000e+11 0.000 3.400e+03 rev/ 1.914e+10 0.600 1.644e+04 / c2h5coch3+c2h3<=>c2h5coch2+c2h4 6.150e+10 0.000 4.278e+03 rev/ 2.716e+10 0.130 1.495e+04 / c2h5coch3+c2h5<=>ch2ch2coch3+c2h6 5.000e+10 0.000 1.340e+04 rev/ 9.549e+12 -0.570 1.399e+04 / c2h5coch3+c2h5<=>ch3chcoch3+c2h6 3.000e+10 0.000 8.600e+03 rev/ 5.319e+14 -0.790 1.860e+04 / c2h5coch3+c2h5<=>c2h5coch2+c2h6 5.000e+10 0.000 1.160e+04 rev/ 6.136e+15 -1.260 1.923e+04 / ch3choococh3<=>ch3chcoch3 + o2 1.372e+17 -1.690 2.846e+04 rev/ 1.000e+11 0.000 0.000e+00 / ch3choococh3<=>ch2choohcoch3 8.900e+12 0.000 2.970e+04 rev/ 4.703e+13 -0.520 1.696e+04 / ch2choohcoch3<=>c2h3coch3+ho2 2.026e+19 -2.350 1.413e+04 rev/ 7.000e+10 0.000 7.800e+03 / ch2ch2cho<=>c2h4+hco 3.127e+13 -0.520 2.459e+04 rev/ 1.500e+11 0.000 8.300e+03 / ch2ch2coch3<=>c2h4+ch3co 1.000e+14 0.000 1.800e+04 rev/ 1.000e+11 0.000 0.000e+00 / c2h5coch2<=>ch2co+c2h5 1.000e+14 0.000 3.500e+04 rev/ 1.000e+11 0.000 0.000e+00 / ch3chcoch3<=>c2h3coch3+h 3.417e+16 -0.820 4.177e+04 rev/ 5.000e+12 0.000 1.200e+03 / ch3chcoch3<=>ch3chco+ch3 1.406e+15 -0.440 3.834e+04 rev/ 1.230e+11 0.000 7.800e+03 / nc3h7cho + o2<=>nc3h7co+ho2 1.200e+05 2.500 3.756e+04 rev/ 1.000e+07 0.500 4.000e+03 / nc3h7cho + oh<=>nc3h7co+h2o 2.000e+06 1.800 -1.300e+03 rev/ 1.553e+04 2.320 2.805e+04 / nc3h7cho+h<=>nc3h7co+h2 4.140e+09 1.120 2.320e+03 rev/ 3.030e+06 1.746 1.678e+04 / nc3h7cho+o<=>nc3h7co + oh 5.940e+12 0.000 1.868e+03 rev/ 2.258e+09 0.607 1.492e+04 / nc3h7cho+ho2<=>nc3h7co+h2o2 4.090e+04 2.500 1.020e+04 rev/ 1.733e+04 2.431 8.662e+03 / nc3h7cho+ch3<=>nc3h7co+ch4 2.890e-03 4.620 3.210e+03 rev/ 1.930e-03 4.800 1.921e+04 / nc3h7cho+ch3o<=>nc3h7co+ch3oh 1.000e+12 0.000 3.300e+03 rev/ 1.572e+10 0.413 1.799e+04 / nc3h7cho+ch3o2<=>nc3h7co+ch3o2h 4.090e+04 2.500 1.020e+04 rev/ 3.371e+05 1.986 7.067e+03 / nc3h7cho + oh<=>c3h6cho-1+h2o 5.280e+09 0.970 1.586e+03 rev/ 1.230e+07 1.494 1.882e+04 / nc3h7cho + oh<=>c3h6cho-2+h2o 4.680e+07 1.610 -3.500e+01 rev/ 9.102e+03 2.444 1.974e+04 / nc3h7cho + oh<=>c3h6cho-3+h2o 5.520e+02 3.120 -1.176e+03 rev/ 1.428e+02 3.400 2.551e+04 / nc3h7cho+ho2<=>c3h6cho-1+h2o2 2.379e+04 2.550 1.649e+04 rev/ 3.025e+03 2.485 2.834e+03 / nc3h7cho+ho2<=>c3h6cho-2+h2o2 9.640e+03 2.600 1.391e+04 rev/ 1.023e+02 2.845 2.791e+03 / nc3h7cho+ho2<=>c3h6cho-3+h2o2 3.440e+12 0.050 1.788e+04 rev/ 4.855e+13 -0.259 1.366e+04 / nc3h7cho+ch3o2<=>c3h6cho-1+ch3o2h 2.379e+04 2.550 1.649e+04 rev/ 5.885e+04 2.040 1.239e+03 / nc3h7cho+ch3o2<=>c3h6cho-2+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 1.990e+03 2.400 1.196e+03 / nc3h7cho+ch3o2<=>c3h6cho-3+ch3o2h 3.440e+12 0.050 1.788e+04 rev/ 9.445e+14 -0.704 1.207e+04 / nc3h7co<=>nc3h7+co 1.000e+11 0.000 9.600e+03 rev/ 2.193e+03 1.763 -1.100e+03 / c3h6cho-1<=>c2h4+ch2cho 7.400e+11 0.000 2.197e+04 rev/ 2.110e+11 0.000 7.350e+03 / c3h6cho-3<=>c2h5chco+h 8.431e+15 -0.600 4.040e+04 rev/ 5.000e+12 0.000 1.200e+03 / c3h6cho-3<=>c2h3cho+ch3 3.174e+14 -0.390 2.990e+04 rev/ 1.230e+11 0.000 7.800e+03 / c3h6cho-2<=>sc3h5cho+h 4.947e+12 -0.150 3.130e+04 rev/ 5.000e+12 0.000 2.900e+03 / c3h6cho-2<=>c3h6+hco 8.249e+12 -0.180 2.190e+04 rev/ 1.000e+11 0.000 6.000e+03 / c2h5chco + oh<=>nc3h7+co2 3.730e+12 0.000 -1.010e+03 rev/ 0.000e+00 0.000 0.000e+00 / c2h5chco+h<=>nc3h7+co 4.400e+12 0.000 1.459e+03 rev/ 0.000e+00 0.000 0.000e+00 / c2h5chco+o<=>c3h6+co2 3.200e+12 0.000 -4.370e+02 rev/ 0.000e+00 0.000 0.000e+00 / sc3h5cho + oh<=>sc3h5co+h2o 2.690e+10 0.760 -3.400e+02 rev/ 4.831e+10 0.770 3.709e+04 / sc3h5co<=>c3h5-s+co 8.600e+15 0.000 2.300e+04 rev/ 1.000e+11 0.000 6.000e+03 / sc3h5cho+ho2<=>sc3h5co+h2o2 1.000e+12 0.000 1.192e+04 rev/ 1.066e+13 -0.320 1.789e+04 / sc3h5cho+ch3<=>sc3h5co+ch4 3.980e+12 0.000 8.700e+03 rev/ 4.313e+13 0.010 3.146e+04 / sc3h5cho+o<=>sc3h5co + oh 7.180e+12 0.000 1.389e+03 rev/ 1.308e+12 0.010 2.157e+04 / sc3h5cho + o2<=>sc3h5co+ho2 4.000e+13 0.000 3.760e+04 rev/ 3.014e+11 0.340 2.394e+03 / sc3h5cho+h<=>sc3h5co+h2 2.600e+12 0.000 2.600e+03 rev/ 1.079e+12 0.010 2.488e+04 / c2h3coch3 + oh=>ch3cho+ch3co 1.000e+11 0.000 0.000e+00 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / c2h3coch3 + oh=>ch2co+c2h3+h2o 5.100e+11 0.000 1.192e+03 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / c2h3coch3+ho2=>ch2cho+ch3co + oh 6.030e+09 0.000 7.949e+03 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / c2h3coch3+ho2=>ch2co+c2h3+h2o2 8.500e+12 0.000 2.046e+04 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / c2h3coch3+ch3o2=>ch2cho+ch3co+ch3o 3.970e+11 0.000 1.705e+04 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / c2h3coch3+ch3o2=>ch2co+c2h3+ch3o2h 3.010e+12 0.000 1.758e+04 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / ic4h10(+m)<=>ch3+ic3h7(+m) 4.830e+16 0.000 7.990e+04 !rev/ 5.747e+04 2.230 -9.643e+03 / low / 2.4100e+19 0.0000e+00 5.2576e+04 / troe / 2.5000e-01 7.5000e+02 1.0000e-10 1.0000e+10 / !troe fall-off reaction ic4h10<=>tc4h9+h 2.510e+98 -23.810 1.453e+05 rev/ 1.131e+93 -22.873 4.839e+04 / ic4h10<=>ic4h9+h 9.850e+95 -23.110 1.476e+05 rev/ 2.248e+92 -22.752 4.636e+04 / ic4h10+h<=>tc4h9+h2 6.020e+05 2.400 2.583e+03 rev/ 1.084e+00 3.613 9.213e+03 / ic4h10+h<=>ic4h9+h2 1.810e+06 2.540 6.756e+03 rev/ 1.651e+02 3.174 9.096e+03 / ic4h10+ch3<=>tc4h9+ch4 9.040e-01 3.460 4.598e+03 rev/ 1.485e-03 4.227 1.277e+04 / ic4h10+ch3<=>ic4h9+ch4 1.360e+00 3.650 7.154e+03 rev/ 1.132e-01 3.838 1.103e+04 / ic4h10 + oh<=>tc4h9+h2o 2.925e+04 2.531 -1.659e+03 rev/ 5.584e-01 3.638 1.986e+04 / ic4h10 + oh<=>ic4h9+h2o 6.654e+04 2.665 -1.689e+02 rev/ 6.437e+01 3.193 1.706e+04 / ic4h10+c2h5<=>ic4h9+c2h6 1.510e+12 0.000 1.040e+04 rev/ 3.200e+11 0.000 1.230e+04 / ic4h10+c2h5<=>tc4h9+c2h6 1.000e+11 0.000 7.900e+03 rev/ 3.000e+11 0.000 2.100e+04 / ic4h10+ho2<=>ic4h9+h2o2 6.120e+01 3.590 1.716e+04 rev/ 3.231e+00 3.529 3.500e+03 / ic4h10+ho2<=>tc4h9+h2o2 4.332e+02 3.010 1.209e+04 rev/ 4.513e-01 3.528 2.723e+03 / ic4h10+o<=>tc4h9 + oh 1.968e+05 2.402 1.150e+03 rev/ 1.839e-01 3.596 6.368e+03 / ic4h10+o<=>ic4h9 + oh 4.046e+07 2.034 5.136e+03 rev/ 1.916e+03 2.649 6.064e+03 / ic4h10+ch3o<=>ic4h9+ch3oh 4.800e+11 0.000 7.000e+03 rev/ 9.402e+08 0.421 9.567e+03 / ic4h10+ch3o<=>tc4h9+ch3oh 1.900e+10 0.000 2.800e+03 rev/ 7.344e+05 1.000 9.657e+03 / ic4h10 + o2<=>ic4h9+ho2 9.000e+13 0.000 5.229e+04 rev/ 4.306e+10 0.286 -5.900e+01 / ic4h10 + o2<=>tc4h9+ho2 1.000e+13 0.000 4.820e+04 rev/ 9.442e+07 0.865 1.410e+02 / ic4h10+ch3o2<=>ic4h9+ch3o2h 2.079e+00 3.970 1.828e+04 rev/ 2.135e+00 3.464 3.026e+03 / ic4h10+c2h5o2<=>ic4h9+c2h5o2h 2.550e+13 0.000 2.046e+04 rev/ 2.623e+13 -0.506 5.208e+03 / ic4h10+ch3co3<=>ic4h9+ch3co3h 2.550e+13 0.000 2.046e+04 rev/ 2.147e+12 -0.009 9.570e+03 / ic4h10+nc3h7o2<=>ic4h9+nc3h7o2h 2.550e+13 0.000 2.046e+04 rev/ 2.678e+13 -0.509 5.000e+03 / ic4h10+ic3h7o2<=>ic4h9+ic3h7o2h 2.550e+13 0.000 2.046e+04 rev/ 2.688e+13 -0.510 5.000e+03 / ic4h10+ic4h9o2<=>ic4h9+ic4h9o2h 2.550e+13 0.000 2.046e+04 rev/ 2.679e+13 -0.509 5.010e+03 / ic4h10+tc4h9o2<=>ic4h9+tc4h9o2h 2.550e+13 0.000 2.046e+04 rev/ 2.684e+13 -0.510 5.010e+03 / ic4h10 + o2cho<=>ic4h9+ho2cho 2.520e+13 0.000 2.044e+04 rev/ 1.006e+00 3.060 2.375e+03 / ic4h10 + o2cho<=>tc4h9+ho2cho 2.800e+12 0.000 1.601e+04 rev/ 1.893e+01 2.720 4.678e+03 / ic4h10+sc4h9o2<=>ic4h9+sc4h9o2h 2.250e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h10+sc4h9o2<=>tc4h9+sc4h9o2h 2.800e+12 0.000 1.600e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h10+pc4h9o2<=>ic4h9+pc4h9o2h 2.250e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h10+pc4h9o2<=>tc4h9+pc4h9o2h 2.800e+12 0.000 1.600e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h10+ch3o2<=>tc4h9+ch3o2h 1.366e+02 3.120 1.319e+04 rev/ 2.769e+00 3.193 2.228e+03 / ic4h10+c2h5o2<=>tc4h9+c2h5o2h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+ch3co3<=>tc4h9+ch3co3h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+nc3h7o2<=>tc4h9+nc3h7o2h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+ic3h7o2<=>tc4h9+ic3h7o2h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+ic4h9o2<=>tc4h9+ic4h9o2h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+tc4h9o2<=>tc4h9+tc4h9o2h 2.800e+12 0.000 1.600e+04 rev/ 1.000e+11 0.000 1.000e+04 / ic4h10+ic4h9<=>tc4h9+ic4h10 2.500e+10 0.000 7.900e+03 rev/ 2.250e+11 0.000 1.230e+04 / ic4h9+ho2<=>ic4h9o + oh 7.000e+12 0.000 -1.000e+03 rev/ 3.712e+15 -0.658 2.654e+04 / tc4h9+ho2<=>tc4h9o + oh 7.000e+12 0.000 -1.000e+03 rev/ 4.083e+18 -1.329 2.865e+04 / ch3o2+ic4h9<=>ch3o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.322e+14 -0.359 3.078e+04 / ch3o2+tc4h9<=>ch3o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.554e+17 -1.030 3.289e+04 / ic4h9<=>ic4h8+h 3.371e+13 0.124 3.366e+04 rev/ 6.250e+11 0.510 2.620e+03 / ic4h9<=>c3h6+ch3 9.504e+11 0.773 3.070e+04 rev/ 1.890e+03 2.670 6.850e+03 / tc4h9<=>h+ic4h8 1.128e+12 0.703 3.656e+04 rev/ 1.060e+12 0.510 1.230e+03 / tc4h9 + o2<=>ic4h8+ho2 8.370e-01 3.590 1.196e+04 rev/ 1.648e+00 3.325 2.550e+04 / ic4h9 + o2<=>ic4h8+ho2 1.070e+00 3.710 9.322e+03 rev/ 4.158e-02 4.024 2.715e+04 / nc3h7o2+ic4h9<=>nc3h7o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 4.543e+14 -0.526 2.922e+04 / nc3h7o2+tc4h9<=>nc3h7o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 4.997e+17 -1.197 3.133e+04 / nc3h7o2+ic4h7<=>nc3h7o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 4.183e+11 0.182 1.350e+04 / sc4h9o2+ic4h9<=>sc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.007e+15 -0.468 2.841e+04 / sc4h9o2+tc4h9<=>sc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.108e+18 -1.139 3.052e+04 / pc4h9o2+ic4h9<=>pc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 5.310e+14 -0.551 2.893e+04 / pc4h9o2+tc4h9<=>pc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 5.841e+17 -1.222 3.104e+04 / pc4h9o2+ic4h7<=>pc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 4.890e+11 0.157 1.321e+04 / sc4h9o2+ic4h7<=>sc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 9.277e+11 0.240 1.269e+04 / ic4h9o2<=>ic4h9 + o2 6.640e+19 -1.575 3.608e+04 rev/ 2.260e+12 0.000 0.000e+00 / tc4h9o2<=>tc4h9 + o2 3.331e+24 -2.472 3.787e+04 rev/ 1.410e+13 0.000 0.000e+00 / ic4h9o2+c4h10<=>ic4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / tc4h9o2+c4h10<=>tc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h9o2+c4h10<=>ic4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / tc4h9o2+c4h10<=>tc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic3h7o2+ic4h9<=>ic3h7o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 9.811e+12 0.160 2.902e+04 / ic3h7o2+tc4h9<=>ic3h7o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.079e+16 -0.511 3.113e+04 / ic3h7o2+ic4h7<=>ic3h7o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 9.035e+09 0.868 1.330e+04 / ic4h9o2+c3h6<=>ic4h9o2h+c3h5-a 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / tc4h9o2+c3h6<=>tc4h9o2h+c3h5-a 3.240e+11 0.000 1.490e+04 rev/ 2.000e+10 0.000 1.500e+04 / ic4h9o2+ic4h8<=>ic4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / tc4h9o2+ic4h8<=>tc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / pc4h9o2+ic4h8<=>pc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / sc4h9o2+ic4h8<=>sc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / ic3h7o2+ic4h8<=>ic3h7o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / nc3h7o2+ic4h8<=>nc3h7o2h+ic4h7 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / ic4h9o2+c4h8-1<=>ic4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / tc4h9o2+c4h8-1<=>tc4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / ic4h9o2+c4h8-2<=>ic4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / tc4h9o2+c4h8-2<=>tc4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 rev/ 3.160e+11 0.000 1.300e+04 / cc4h8o + oh<=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / cc4h8o+h<=>ch2o+c3h5-a+h2 3.510e+07 2.000 5.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / cc4h8o+o<=>ch2o+c3h5-a + oh 1.124e+14 0.000 5.200e+03 rev/ 0.000e+00 0.000 0.000e+00 / cc4h8o+ho2<=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 rev/ 0.000e+00 0.000 0.000e+00 / cc4h8o+ch3o2<=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / cc4h8o+ch3<=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 rev/ 0.000e+00 0.000 0.000e+00 / c2h4+tc4h9o2<=>c2h3+tc4h9o2h 7.000e+11 0.000 1.711e+04 rev/ 1.000e+11 0.000 1.000e+04 / !c2h4+tc4h9o2<=>c2h3+tc4h9o2h 8.59 3.754 27132.0 !wjp: new c2h4+ro2 rxn rate rule? !rev/ 1.000e+11 0.000 1.000e+04 / tc4h9o2+ch4<=>tc4h9o2h+ch3 1.130e+13 0.000 2.046e+04 rev/ 7.500e+08 0.000 1.280e+03 / h2+tc4h9o2<=>h+tc4h9o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / tc4h9o2+c2h6<=>tc4h9o2h+c2h5 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / tc4h9o2+c3h8<=>tc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 5.000e+11 0.000 6.500e+03 / tc4h9o2+c3h8<=>tc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / tc4h9o2+ch3oh<=>tc4h9o2h+ch2oh 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / tc4h9o2+c2h5oh<=>tc4h9o2h+pc2h4oh 6.300e+12 0.000 1.936e+04 rev/ 3.061e+12 0.000 2.210e+04 / tc4h9o2+c2h5oh<=>tc4h9o2h+sc2h4oh 4.200e+12 0.000 1.500e+04 rev/ 2.040e+12 0.000 1.774e+04 / ic4h9o2+ch3cho<=>ic4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / tc4h9o2+ch3cho<=>tc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ic4h9o2+c2h3cho<=>ic4h9o2h+c2h3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / tc4h9o2+c2h3cho<=>tc4h9o2h+c2h3co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ic4h9o2+c2h5cho<=>ic4h9o2h+c2h5co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / tc4h9o2+c2h5cho<=>tc4h9o2h+c2h5co 2.800e+12 0.000 1.360e+04 rev/ 1.000e+12 0.000 1.000e+04 / ic4h9o2+ho2<=>ic4h9o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.843e+13 -0.795 3.362e+04 / tc4h9o2+ho2<=>tc4h9o2h + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.850e+13 -0.795 3.362e+04 / ic4h9o2+h2o2<=>ic4h9o2h+ho2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / tc4h9o2+h2o2<=>tc4h9o2h+ho2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / ic4h9o2+ch2o<=>ic4h9o2h+hco 1.300e+11 0.000 9.000e+03 rev/ 2.500e+10 0.000 1.010e+04 / tc4h9o2+ch2o<=>tc4h9o2h+hco 1.300e+11 0.000 9.000e+03 rev/ 2.500e+10 0.000 1.010e+04 / ic4h9o2+ch3o2<=>ic4h9o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+ch3o2<=>tc4h9o+ch3o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+c2h5o2<=>ic4h9o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+c2h5o2<=>tc4h9o+c2h5o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+ch3co3<=>ic4h9o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+ch3co3<=>tc4h9o+ch3co2 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+ic4h9o2<=>o2+ic4h9o+ic4h9o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+tc4h9o2<=>ic4h9o+tc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+tc4h9o2<=>o2+tc4h9o+tc4h9o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+pc4h9o2<=>ic4h9o+pc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+pc4h9o2<=>tc4h9o+pc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+sc4h9o2<=>ic4h9o+sc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+sc4h9o2<=>tc4h9o+sc4h9o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+nc3h7o2<=>ic4h9o+nc3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+nc3h7o2<=>tc4h9o+nc3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+ic3h7o2<=>ic4h9o+ic3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+ic3h7o2<=>tc4h9o+ic3h7o + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+ho2<=>ic4h9o + oh + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc4h9o2+ho2<=>tc4h9o + oh + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2+ch3<=>ic4h9o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 5.720e+12 0.003 2.802e+04 / ic4h9o2+c2h5<=>ic4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 8.133e+14 -0.599 3.043e+04 / ic4h9o2+ic3h7<=>ic4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.387e+15 -0.432 3.110e+04 / ic4h9o2+nc3h7<=>ic4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 8.212e+14 -0.568 2.910e+04 / ic4h9o2+pc4h9<=>ic4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.139e+15 -0.618 2.878e+04 / ic4h9o2+sc4h9<=>ic4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.969e+17 -1.110 3.049e+04 / ic4h9o2+ic4h9<=>ic4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 4.900e+14 -0.533 3.032e+04 / ic4h9o2+tc4h9<=>ic4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 5.390e+17 -1.204 3.243e+04 / ic4h9o2+c3h5-a<=>ic4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 2.119e+11 0.184 1.544e+04 / ic4h9o2+c4h71-3<=>ic4h9o+c4h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.095e+14 -0.745 1.749e+04 / ic4h9o2+ic4h7<=>ic4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 4.512e+11 0.175 1.460e+04 / tc4h9o2+ch3<=>tc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 7.824e+11 0.229 2.834e+04 / tc4h9o2+c2h5<=>tc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 rev/ 1.112e+14 -0.372 3.075e+04 / tc4h9o2+ic3h7<=>tc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.898e+14 -0.206 3.142e+04 / tc4h9o2+nc3h7<=>tc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.123e+14 -0.341 2.942e+04 / tc4h9o2+pc4h9<=>tc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 1.558e+14 -0.392 2.910e+04 / tc4h9o2+sc4h9<=>tc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 2.693e+16 -0.883 3.081e+04 / tc4h9o2+ic4h9<=>tc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 rev/ 6.703e+13 -0.307 3.064e+04 / tc4h9o2+tc4h9<=>tc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 rev/ 7.373e+16 -0.978 3.275e+04 / tc4h9o2+c3h5-a<=>tc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 rev/ 2.898e+10 0.411 1.576e+04 / tc4h9o2+c4h71-3<=>tc4h9o+c4h7o 7.000e+12 0.000 -1.000e+03 rev/ 1.497e+13 -0.519 1.781e+04 / tc4h9o2+ic4h7<=>tc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 6.172e+10 0.401 1.492e+04 / ic4h9o2+c2h4<=>ic4h9o2h+c2h3 2.000e+11 0.000 6.000e+03 rev/ 2.000e+10 0.000 8.000e+03 / ic4h9o2+ch4<=>ic4h9o2h+ch3 1.130e+13 0.000 2.046e+04 rev/ 7.500e+08 0.000 1.280e+03 / h2+ic4h9o2<=>h+ic4h9o2h 3.010e+13 0.000 2.603e+04 rev/ 4.800e+13 0.000 7.950e+03 / ic4h9o2+c2h6<=>ic4h9o2h+c2h5 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h9o2+c3h8<=>ic4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h9o2+c3h8<=>ic4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 rev/ 5.000e+11 0.000 6.500e+03 / ic4h9o2+ch3oh<=>ic4h9o2h+ch2oh 6.300e+12 0.000 1.936e+04 rev/ 1.000e+09 0.000 1.000e+04 / ic4h9o2+c2h5oh<=>ic4h9o2h+pc2h4oh 6.300e+12 0.000 1.936e+04 rev/ 3.061e+12 0.000 2.210e+04 / ic4h9o2+c2h5oh<=>ic4h9o2h+sc2h4oh 4.200e+12 0.000 1.500e+04 rev/ 2.040e+12 0.000 1.774e+04 / ic4h9o2h<=>ic4h9o + oh 1.500e+16 0.000 4.250e+04 rev/ 1.233e+08 1.712 -2.942e+03 / tc4h9o2h<=>tc4h9o + oh 5.950e+15 0.000 4.254e+04 rev/ 6.677e+06 1.939 -2.582e+03 / ic4h9o+ho2<=>ic3h7cho+h2o2 1.000e+12 0.000 0.000e+00 rev/ 1.380e+13 -0.250 7.213e+04 / ic4h9o + oh<=>ic3h7cho+h2o 1.810e+13 0.000 0.000e+00 rev/ 4.209e+13 0.080 1.036e+05 / ic4h9o+ch3<=>ic3h7cho+ch4 2.400e+13 0.000 0.000e+00 rev/ 3.368e+14 0.080 8.892e+04 / ic4h9o+o<=>ic3h7cho + oh 6.000e+12 0.000 0.000e+00 rev/ 1.415e+12 0.080 8.635e+04 / ic4h9o+h<=>ic3h7cho+h2 1.990e+13 0.000 0.000e+00 rev/ 1.069e+13 0.080 8.844e+04 / ic4h9o<=>ic3h7cho+h 4.000e+14 0.000 2.150e+04 rev/ 1.139e+10 1.080 2.500e+03 / ic4h9o<=>ch2o+ic3h7 2.000e+14 0.000 1.750e+04 rev/ 1.877e+02 2.796 4.591e+03 / tc4h9o<=>ch3coch3+ch3 9.558e+22 -2.548 1.865e+04 rev/ 1.500e+11 0.000 1.190e+04 / ic4h9o + o2<=>ic3h7cho+ho2 1.930e+11 0.000 1.660e+03 rev/ 7.026e+08 0.564 3.320e+04 / tc4h9o + o2<=>ic4h8o+ho2 8.100e+11 0.000 4.700e+03 rev/ 1.000e+11 0.000 3.200e+04 / ic4h8o<=>ic3h7cho 4.180e+13 0.000 5.272e+04 rev/ 1.392e+10 0.550 7.205e+04 / ic4h8o + oh<=>ic3h6cho+h2o 1.250e+12 0.000 0.000e+00 rev/ 9.609e+05 1.069 3.656e+04 / ic4h8o+h<=>ic3h6cho+h2 1.250e+12 0.000 0.000e+00 rev/ 9.063e+04 1.175 2.167e+04 / ic4h8o+ho2<=>ic3h6cho+h2o2 2.500e+12 0.000 1.500e+04 rev/ 1.049e+08 0.480 2.066e+04 / ic4h8o+ch3o2<=>ic3h6cho+ch3o2h 2.500e+12 0.000 1.900e+04 rev/ 2.040e+09 0.036 2.307e+04 / ic4h8o+ch3<=>ic3h6cho+ch4 5.000e+10 0.000 1.000e+04 rev/ 3.307e+06 0.729 3.321e+04 / ic4h8o+o<=>ic3h6cho + oh 1.250e+12 0.000 0.000e+00 rev/ 4.704e+04 1.156 2.025e+04 / ic3h7cho<=>tc3h6cho+h 2.304e+18 -0.910 9.200e+04 rev/ 2.000e+14 0.000 0.000e+00 / ic3h7cho<=>ic3h7+hco 1.129e+17 -0.030 7.976e+04 rev/ 1.810e+13 0.000 0.000e+00 / ic3h7cho+ho2<=>ic3h7co+h2o2 3.000e+12 0.000 1.192e+04 rev/ 7.987e+11 -0.062 1.036e+04 / ic3h7cho+ho2<=>tc3h6cho+h2o2 8.000e+10 0.000 1.192e+04 rev/ 3.366e+12 -0.420 1.105e+04 / ic3h7cho+ch3<=>ic3h7co+ch4 3.980e+12 0.000 8.700e+03 rev/ 2.325e+13 -0.060 2.563e+04 / ic3h7cho+o<=>ic3h7co + oh 7.180e+12 0.000 1.389e+03 rev/ 7.052e+11 -0.060 1.574e+04 / ic3h7cho + o2<=>ic3h7co+ho2 4.000e+13 0.000 3.760e+04 rev/ 1.625e+11 0.270 -3.432e+03 / ic3h7cho + oh<=>ic3h7co+h2o 2.690e+10 0.760 -3.400e+02 rev/ 1.164e+10 0.750 3.120e+04 / ic3h7cho + oh<=>tc3h6cho+h2o 1.684e+12 0.000 -7.810e+02 rev/ 1.194e+13 -0.090 2.981e+04 / ic3h7cho+h<=>ic3h7co+h2 2.600e+12 0.000 2.600e+03 rev/ 1.196e+09 0.633 1.704e+04 / ic3h7cho + oh<=>ic3h6cho+h2o 3.120e+06 2.000 -2.980e+02 rev/ 6.388e+05 1.990 1.913e+04 / ic3h7cho+ho2<=>ic3h6cho+h2o2 2.740e+04 2.550 1.550e+04 rev/ 3.330e+04 2.210 3.468e+03 / ic3h7cho+ch3o2<=>ic3h6cho+ch3o2h 4.760e+04 2.550 1.649e+04 rev/ 2.377e+05 2.040 3.742e+03 / ic3h7co<=>ic3h7+co 2.869e+20 -2.194 1.497e+04 rev/ 1.500e+11 0.000 4.810e+03 / ic3h6cho<=>c3h6+hco 1.031e+15 -0.620 2.317e+04 rev/ 1.000e+11 0.000 7.800e+03 / ic3h6cho<=>c2h3cho+ch3 2.425e+13 -0.270 2.247e+04 rev/ 1.000e+11 0.000 7.800e+03 / ic4h8oh<=>ic4h8 + oh 9.232e+14 -0.562 2.805e+04 rev/ 9.930e+11 0.000 -9.600e+02 / io2c4h8oh<=>ic4h8oh + o2 1.917e+21 -2.347 3.579e+04 rev/ 1.200e+11 0.000 -1.100e+03 / io2c4h8oh<=>ch3coch3+ch2o + oh 1.250e+10 0.000 1.890e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4h9o2<=>ic4h8o2h-i 7.500e+10 0.000 2.400E+04 rev/ 1.815e+11 -0.507 8.946e+03 / tc4h9o2<=>tc4h8o2h-i 9.000e+11 0.000 3.450e+04 rev/ 2.027e+09 0.123 1.694e+04 / ic4h9o2<=>ic4h8o2h-t 1.000e+11 0.000 2.920e+04 rev/ 5.085e+06 0.780 1.588e+04 / ic4h9o2<=>ic4h8+ho2 2.265e+35 -7.220 3.949e+04 rev/ 2.996e+26 -5.331 2.124e+04 / tc4h9o2<=>ic4h8+ho2 7.612e+42 -9.410 4.149e+04 rev/ 6.344e+31 -7.203 1.716e+04 / ic4h8ooh-io2<=>ic4h8o2h-i + o2 1.440e+20 -1.627 3.569e+04 rev/ 2.260e+12 0.000 0.000e+00 / tc4h8ooh-io2<=>tc4h8o2h-i + o2 5.167e+22 -2.257 3.780e+04 rev/ 2.260e+12 0.000 0.000e+00 / ic4h8ooh-to2<=>ic4h8o2h-t + o2 2.266e+27 -3.233 3.964e+04 rev/ 1.410e+13 0.000 0.000e+00 / ic4h8ooh-io2<=>ic4ketii + oh 5.000e+10 0.000 2.100E+04 rev/ 1.986e+03 1.455 4.442e+04 / ic4h8ooh-to2<=>ic4ketit + oh 4.000e+11 0.000 3.150e+04 rev/ 1.910e+05 1.240 5.383e+04 / tc4h8ooh-io2<=>tic4h7q2-i 7.500e+10 0.000 2.400E+04 rev/ 6.360e+08 0.091 1.172e+04 / tic4h7q2-i<=>ic4h7ooh+ho2 1.940e+20 -2.190 2.259e+04 rev/ 1.000e+11 0.000 1.060e+04 / ic4h8ooh-io2<=>iic4h7q2-i 3.750e+10 0.000 2.400E+04 rev/ 8.986e+08 -0.088 1.190e+04 / ic4h8ooh-io2<=>iic4h7q2-t 1.000e+11 0.000 2.920e+04 rev/ 9.448e+07 0.406 2.120e+04 / ic4h8ooh-to2<=>tic4h7q2-i 6.000e+11 0.000 3.450e+04 rev/ 5.088e+09 0.091 2.182e+04 / iic4h7q2-i<=>ac3h5ooh+ch2o2h 7.631e+19 -1.740 3.831e+04 rev/ 8.500e+10 0.000 1.060e+04 / iic4h7q2-t<=>ic4h7ooh+ho2 4.076e+17 -1.560 1.839e+04 rev/ 1.000e+11 0.000 7.800e+03 / ch2o2h<=>ch2o + oh 9.000e+14 0.000 1.500e+03 rev/ 1.869e+11 1.100 3.684e+04 / ic4ketii<=>ch2o+c2h5co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4ketit<=>ch3coch3+hco + oh 9.500e+15 0.000 4.254e+04 rev/ 0.000e+00 0.000 0.000e+00 / tc4h8o2h-i<=>ic4h8+ho2 1.073e+20 -2.085 1.939e+04 rev/ 3.970e+11 0.000 1.262e+04 / ic4h8o2h-t<=>ic4h8+ho2 1.526e+16 -1.109 1.756e+04 rev/ 3.970e+11 0.000 1.262e+04 / ic4h8o2h-i<=>cc4h8o + oh 2.000e+11 0.000 1.950e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4h8o2h-t<=>ic4h8o + oh 1.380e+12 0.000 1.480e+04 rev/ 0.000e+00 0.000 0.000e+00 / tc4h8o2h-i<=>ic4h8o + oh 4.000e+12 0.000 1.700e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4h8o2h-i<=>oh+ch2o+c3h6 8.451e+15 -0.680 2.917e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4h8<=>c3h5-t+ch3 1.920e+66 -14.220 1.281e+05 rev/ 1.561e+56 -12.293 2.610e+04 / ic4h8<=>ic4h7+h 3.070e+55 -11.490 1.143e+05 rev/ 1.428e+55 -11.738 2.600E+04 / ic4h8+h<=>c3h6+ch3 5.680e+33 -5.720 2.000e+04 rev/ 6.093e+26 -4.209 2.720e+04 / ic4h8+h<=>ic4h7+h2 3.400e+05 2.500 2.492e+03 rev/ 6.320e+04 2.528 1.816e+04 / ic4h8+o<=>ch2co+ch3+ch3 3.330e+07 1.760 7.600e+01 rev/ 0.000e+00 0.000 0.000e+00 / ic4h8+o=>ic3h6co+h+h 1.660e+07 1.760 7.600e+01 ! wjp: 2 step rxn in one step=> zero reverse rate. !rev/ 0.000e+00 0.000 0.000e+00 / ic4h8+o<=>ic4h7 + oh 1.206e+11 0.700 7.633e+03 rev/ 1.164e+10 0.709 2.189e+04 / ic4h8+ch3<=>ic4h7+ch4 4.420e+00 3.500 5.675e+03 rev/ 7.495e+02 3.082 2.289e+04 / ic4h8+ho2<=>ic4h7+h2o2 1.928e+04 2.600 1.391e+04 rev/ 2.073e+06 1.933 1.358e+04 / ic4h8 + o2cho<=>ic4h7+ho2cho 1.928e+04 2.600 1.391e+04 rev/ 6.514e-07 4.900 -3.468e+03 / ic4h8 + o2<=>ic4h7+ho2 6.000e+12 0.000 3.990e+04 rev/ 5.848e+12 -0.320 8.830e+02 / ic4h8+c3h5-a<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 rev/ 4.400e+20 -1.330 6.061e+04 / ic4h8+c3h5-s<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 rev/ 5.592e+20 -1.270 8.217e+04 / ic4h8+c3h5-t<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 rev/ 5.592e+20 -1.270 8.017e+04 / ic4h8 + oh<=>ic4h7+h2o 5.200e+06 2.000 -2.980e+02 rev/ 1.025e+07 1.922 3.027e+04 / ic4h8+o<=>ic3h7+hco 1.580e+07 1.760 -1.216e+03 rev/ 4.538e+00 3.060 2.169e+04 / ic4h8+ch3o2<=>ic4h7+ch3o2h 1.928e+04 2.600 1.391e+04 rev/ 4.034e+07 1.488 1.199e+04 / ic4h8+ho2<=>ic4h8o + oh 1.290e+12 0.000 1.334e+04 rev/ 1.000e+12 0.000 7.500e+03 / ic4h7 + o2<=>ic3h5cho + oh 2.470e+13 -0.450 2.302e+04 rev/ 3.372e+13 -0.577 7.301e+04 / ic4h7 + o2<=>ch3coch2+ch2o 7.140e+15 -1.210 2.105e+04 rev/ 1.700e+12 -0.407 8.825e+04 / ic4h7 + o2<=>c3h4-a+ch2o + oh 7.290e+29 -5.710 2.145e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic4h7+o<=>ic3h5cho+h 6.030e+13 0.000 0.000e+00 rev/ 2.844e+16 -0.519 6.673e+04 / ic4h7<=>c3h4-a+ch3 1.230e+47 -9.740 7.426e+04 rev/ 1.649e+38 -7.768 2.254e+04 / ch3o2+ic4h7<=>ch3o+ic4h7o 7.000e+12 0.000 -1.000e+03 rev/ 2.138e+11 0.349 1.506e+04 / ic4h7+ho2<=>ic4h7o + oh 7.000e+12 0.000 -1.000e+03 rev/ 3.418e+12 0.050 1.082e+04 / ic4h7o<=>c3h5-t+ch2o 2.925e+21 -2.391 3.559e+04 rev/ 1.000e+11 0.000 1.260e+04 / ic4h7o<=>ic4h6oh 1.391e+11 0.000 1.560e+04 rev/ 4.233e+11 -0.164 3.167e+04 / ic4h7o<=>ic3h5cho+h 5.000e+13 0.000 2.910e+04 rev/ 6.670e+13 -0.105 1.841e+04 / ic4h6oh+h2<=>ic4h7oh+h 2.160e+04 2.380 1.899e+04 rev/ 5.614e+02 2.980 1.399e+03 / ic4h6oh+ho2<=>ic4h7oh + o2 5.570e+13 -0.315 8.620e+02 rev/ 6.000e+13 0.000 3.990e+04 / ic4h6oh+ch2o<=>ic4h7oh+hco 6.300e+08 1.900 1.819e+04 rev/ 2.101e+07 2.153 1.773e+04 / ic4h6oh+ic4h8<=>ic4h7oh+ic4h7 4.700e+02 3.300 1.984e+04 rev/ 2.814e-01 3.900 6.521e+03 / ic4h7oh<=>ic4h6oh+h 4.902e+16 -0.400 8.985e+04 rev/ 1.000e+14 0.000 0.000e+00 / ic4h7oh+ho2<=>ic4h6oh+h2o2 7.644e+03 2.712 1.393e+04 rev/ 7.830e+05 2.050 1.358e+04 / ic4h6oh<=>c3h4-a+ch2oh 7.244e+19 -1.859 5.705e+04 rev/ 1.000e+11 0.000 9.200e+03 / ic4h7o + o2<=>ic3h5cho+ho2 3.000e+10 0.000 1.649e+03 rev/ 6.312e+10 -0.140 3.898e+04 / ic4h7o+ho2<=>ic3h5cho+h2o2 3.000e+11 0.000 0.000e+00 rev/ 8.930e+14 -0.800 7.850e+04 / ic4h7o+ch3<=>ic3h5cho+ch4 2.400e+13 0.000 0.000e+00 rev/ 7.261e+16 -0.470 9.529e+04 / ic4h7o+o<=>ic3h5cho + oh 6.000e+12 0.000 0.000e+00 rev/ 3.052e+14 -0.470 9.272e+04 / ic4h7o + oh<=>ic3h5cho+h2o 1.810e+13 0.000 0.000e+00 rev/ 9.076e+15 -0.470 1.100e+05 / ic4h7o+h<=>ic3h5cho+h2 1.990e+13 0.000 0.000e+00 rev/ 2.305e+15 -0.470 9.481e+04 / ic3h5cho + oh<=>ic3h5co+h2o 2.690e+10 0.760 -3.400e+02 rev/ 4.400e+10 0.780 3.608e+04 / ic3h5cho+ho2<=>ic3h5co+h2o2 1.000e+12 0.000 1.192e+04 rev/ 9.709e+12 -0.310 1.688e+04 / ic3h5cho+ch3<=>ic3h5co+ch4 3.980e+12 0.000 8.700e+03 rev/ 3.928e+13 0.020 3.045e+04 / ic3h5cho+o<=>ic3h5co + oh 7.180e+12 0.000 1.389e+03 rev/ 1.191e+12 0.020 2.056e+04 / ic3h5cho + o2<=>ic3h5co+ho2 2.000e+13 0.000 4.070e+04 rev/ 1.824e+11 0.311 5.337e+03 / ic3h5cho+h<=>ic3h5co+h2 2.600e+12 0.000 2.600e+03 rev/ 9.822e+11 0.020 2.387e+04 / ic3h5co<=>c3h5-t+co 1.278e+20 -1.890 3.446e+04 rev/ 1.510e+11 0.000 4.809e+03 / tc3h6cho+ho2<=>tc3h6ocho + oh 9.640e+12 0.000 0.000e+00 rev/ 2.018e+17 -1.200 2.101e+04 / tc3h6ocho<=>ch3coch3+hco 3.980e+13 0.000 9.700e+03 rev/ 2.173e+08 0.800 1.424e+04 / tc3h6cho<=>ic3h5cho+h 1.325e+14 0.010 3.934e+04 rev/ 1.300e+13 0.000 1.200e+03 / tc3h6cho<=>ic3h6co+h 4.086e+14 -0.072 4.241e+04 rev/ 1.300e+13 0.000 4.800e+03 / tc3h6cho+h2<=>ic3h7cho+h 2.160e+05 2.380 1.899e+04 rev/ 1.319e+05 2.470 3.550e+03 / ic4h7ooh<=>ic4h7o + oh 6.400e+15 0.000 4.555e+04 rev/ 1.000e+11 0.000 0.000e+00 / ic4h7oh<=>ic4h7o+h 5.969e+16 -0.560 1.059e+05 rev/ 4.000e+13 0.000 0.000e+00 / ic4h8oh<=>ic4h7oh+h 1.708e+12 0.277 3.885e+04 rev/ 1.000e+13 0.000 1.200e+03 / ic4h7o+h2<=>ic4h7oh+h 9.050e+06 2.000 1.783e+04 rev/ 7.160e+05 2.440 1.631e+04 / ic4h7oh<=>ic4h7 + oh 7.310e+16 -0.410 7.970e+04 rev/ 3.000e+13 0.000 0.000e+00 / ic4h7o+ch2o<=>ic4h7oh+hco 1.150e+11 0.000 1.280e+03 rev/ 3.020e+11 0.000 1.816e+04 / tc3h6cho+ch2o<=>ic3h7cho+hco 2.520e+08 1.900 1.819e+04 rev/ 1.229e+07 1.990 1.742e+04 / tc3h6cho+ic4h8<=>ic3h7cho+ic4h7 4.700e+02 3.300 1.984e+04 rev/ 6.613e+00 3.390 8.672e+03 / ic3h6co + oh<=>ic3h7+co2 1.730e+12 0.000 -1.010e+03 rev/ 2.577e+14 -0.430 5.548e+04 / tc3h6ohcho<=>tc3h6cho + oh 9.990e+20 -1.460 8.748e+04 rev/ 5.000e+13 0.000 0.000e+00 / tc3h6ohcho<=>tc3h6oh+hco 5.164e+23 -1.900 7.685e+04 rev/ 1.810e+13 0.000 0.000e+00 / tc3h6oh<=>ch3coch3+h 5.000e+13 0.000 2.186e+04 rev/ 1.000e+12 0.000 0.000e+00 / tc3h6oh<=>ic3h5oh+h 6.196e+15 -0.660 4.034e+04 rev/ 1.300e+13 0.000 1.560e+03 / ic3h5oh<=>c3h5-t + oh 7.369e+19 -0.940 1.091e+05 rev/ 5.000e+13 0.000 0.000e+00 / tc3h6o2cho<=>tc3h6cho + o2 2.458e+25 -4.065 2.708e+04 rev/ 1.990e+17 -2.100 0.000e+00 / tc3h6o2cho<=>ic3h5o2hcho 6.000e+11 0.000 2.988e+04 rev/ 3.014e+12 -0.516 1.711e+04 / tc3h6o2cho<=>tc3h6o2hco 1.000e+11 0.000 2.575e+04 rev/ 1.628e+12 -0.516 2.510e+04 / ic3h5o2hcho<=>ic3h5cho+ho2 8.944e+20 -2.440 1.503e+04 rev/ 2.230e+11 0.000 1.060e+04 / tc3h6o2hco<=>ch3coch3+co + oh 4.244e+18 -1.430 4.800e+03 rev/ 0.000e+00 0.000 0.000e+00 / tc3h6oh + o2<=>ch3coch3+ho2 2.230e+13 0.000 0.000e+00 rev/ 6.529e+17 -1.190 2.561e+04 / ic3h6co + oh<=>tc3h6oh+co 2.000e+12 0.000 -1.010e+03 rev/ 1.009e+09 0.900 3.154e+04 / tc3h6cho + o2<=>ic3h5cho+ho2 2.725e-19 0.000 7.240e+03 rev/ 1.390e+11 -0.200 1.731e+04 / tc3h6cho + o2<=>ch3coch3+co + oh 3.620e-20 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / tc3h6cho+ho2<=>ic3h7cho + o2 3.675e+12 0.000 1.310e+03 rev/ 1.236e+14 -0.240 4.335e+04 / tc3h6cho+ch3<=>ic3h5cho+ch4 3.010e+12 -0.320 -1.310e+02 rev/ 2.207e+15 -0.850 6.790e+04 / tc4h8cho<=>ic3h5cho+ch3 1.000e+13 0.000 2.629e+04 rev/ 2.230e+11 0.000 1.060e+04 / tc4h8cho<=>ic4h8+hco 8.520e+12 0.000 2.009e+04 rev/ 1.000e+11 0.000 6.000e+03 / o2c4h8cho<=>tc4h8cho + o2 1.519e+19 -1.440 3.451e+04 rev/ 2.000e+12 0.000 0.000e+00 / o2c4h8cho<=>o2hc4h8co 2.160e+11 0.000 1.536e+04 rev/ 1.173e+13 -0.680 1.488e+04 / o2hc4h8co<=>ic4h8o2h-t+co 3.299e+22 -2.720 1.176e+04 rev/ 1.500e+11 0.000 4.809e+03 / ic4h7o+ic4h8<=>ic4h7oh+ic4h7 2.700e+11 0.000 4.000e+03 rev/ 1.000e+10 0.000 9.000e+03 / ic4h6oh+ho2<=>ch2cch2oh+ch2o + oh 1.446e+13 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic4h8+ch2cch2oh<=>ic4h7+c3h5oh 7.940e+11 0.000 2.050e+04 rev/ 2.750e+11 -0.050 2.847e+04 / c3h5oh+ho2<=>ch2cch2oh+h2o2 1.761e+09 0.280 2.259e+04 rev/ 3.010e+09 0.000 2.583e+03 / c3h5oh + oh<=>ch2cch2oh+h2o 5.060e+12 0.000 5.960e+03 rev/ 1.457e+12 0.050 1.741e+04 / c3h5oh+h<=>ch2cch2oh+h2 3.900e+05 2.500 5.821e+03 rev/ 2.594e+04 2.550 2.121e+03 / c3h5oh + o2<=>ch2cch2oh+ho2 4.000e+13 0.000 6.069e+04 rev/ 4.833e+10 0.380 -4.920e+02 / c3h5oh+ch3<=>ch2cch2oh+ch4 2.400e+11 0.000 8.030e+03 rev/ 4.170e+11 0.050 4.810e+03 / ic4h7oh<=>ch2cch2oh+ch3 1.247e+20 -0.980 9.857e+04 !rev from thermo above collisional. rev/ 3.000e+13 0.000 0.000e+00 / c3h5oh<=>ch2cch2oh+h 2.835e+19 -1.050 1.111e+05 rev/ 1.000e+14 0.000 0.000e+00 / ch2cch2oh + o2<=>ch2oh+co+ch2o 4.335e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ch2cch2oh<=>c2h2+ch2oh 2.163e+40 -8.310 4.511e+04 rev/ 1.610e+40 -8.580 2.033e+04 / ch2cch2oh<=>c3h4-a + oh 6.697e+16 -1.110 4.258e+04 rev/ 8.500e+12 0.000 2.000e+03 / nc5h12<=>c5h11-1+h 1.375e+17 -0.360 1.012e+05 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>c5h11-2+h 3.325e+18 -0.763 9.880e+04 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>c5h11-3+h 1.602e+18 -0.758 9.879e+04 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>ch3+pc4h9 6.101e+22 -1.862 8.943e+04 rev/ 4.000e+12 0.000 -5.960e+02 / nc5h12<=>nc3h7+c2h5 3.082e+24 -2.269 8.844e+04 rev/ 4.000e+12 0.000 -5.960e+02 / nc5h12+h<=>c5h11-1+h2 1.880e+05 2.750 6.280e+03 rev/ 1.972e+01 3.386 8.610e+03 / nc5h12+h<=>c5h11-2+h2 2.600e+06 2.400 4.471e+03 rev/ 1.128e+01 3.439 9.236e+03 / nc5h12+h<=>c5h11-3+h2 1.300e+06 2.400 4.471e+03 rev/ 1.171e+01 3.434 9.244e+03 / nc5h12 + oh<=>c5h11-1+h2o 1.054e+10 0.970 1.590e+03 rev/ 1.172e+07 1.500 1.881e+04 / nc5h12 + oh<=>c5h11-2+h2o 9.340e+07 1.610 -3.500e+01 rev/ 4.297e+03 2.543 1.962e+04 / nc5h12 + oh<=>c5h11-3+h2o 4.670e+07 1.610 -3.500e+01 rev/ 4.459e+03 2.538 1.963e+04 / nc5h12+o<=>c5h11-1 + oh 2.092e+06 2.424 4.766e+03 rev/ 1.139e+02 3.041 5.684e+03 / nc5h12+o<=>c5h11-2 + oh 1.189e+06 2.439 2.846e+03 rev/ 2.678e+00 3.459 6.199e+03 / nc5h12+o<=>c5h11-3 + oh 5.946e+05 2.439 2.846e+03 rev/ 2.779e+00 3.454 6.207e+03 / nc5h12+ch3<=>c5h11-1+ch4 9.040e-01 3.650 7.154e+03 rev/ 8.653e-02 3.840 1.102e+04 / nc5h12+ch3<=>c5h11-2+ch4 1.680e+05 2.133 7.574e+03 rev/ 6.650e+02 2.726 1.388e+04 / nc5h12+ch3<=>c5h11-3+ch4 8.400e+04 2.133 7.574e+03 rev/ 6.901e+02 2.721 1.389e+04 / nc5h12+ho2<=>c5h11-1+h2o2 4.080e+01 3.590 1.716e+04 rev/ 2.477e+00 3.531 3.490e+03 / nc5h12+ho2<=>c5h11-2+h2o2 1.264e+02 3.370 1.372e+04 rev/ 3.173e-01 3.714 2.483e+03 / nc5h12+ho2<=>c5h11-3+h2o2 6.320e+01 3.370 1.372e+04 rev/ 3.293e-01 3.709 2.491e+03 / nc5h12+ch3o2<=>c5h11-1+ch3o2h 4.080e+01 3.590 1.716e+04 rev/ 4.818e+01 3.086 1.895e+03 / nc5h12+ch3o2<=>c5h11-2+ch3o2h 1.264e+02 3.370 1.372e+04 rev/ 6.173e+00 3.269 8.880e+02 / nc5h12+ch3o2<=>c5h11-3+ch3o2h 6.320e+01 3.370 1.372e+04 rev/ 6.406e+00 3.264 8.960e+02 / nc5h12+c2h5<=>c5h11-1+c2h6 1.000e+11 0.000 1.340e+04 rev/ 3.200e+11 0.000 1.230e+04 / nc5h12+c2h5<=>c5h11-2+c2h6 1.000e+11 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c2h5<=>c5h11-3+c2h6 5.000e+10 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c2h3<=>c5h11-1+c2h4 1.000e+12 0.000 1.800e+04 rev/ 2.600e+12 0.000 2.540e+04 / nc5h12+c2h3<=>c5h11-2+c2h4 8.000e+11 0.000 1.680e+04 rev/ 2.000e+12 0.000 2.420e+04 / nc5h12+c2h3<=>c5h11-3+c2h4 4.000e+11 0.000 1.680e+04 rev/ 2.000e+12 0.000 2.420e+04 / nc5h12+c5h11-1<=>c5h11-2+nc5h12 1.000e+11 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c5h11-1<=>c5h11-3+nc5h12 5.000e+10 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c5h11-2<=>c5h11-3+nc5h12 5.000e+10 0.000 1.230e+04 rev/ 1.000e+11 0.000 1.230e+04 / nc5h12 + o2cho<=>c5h11-1+ho2cho 1.680e+13 0.000 2.044e+04 rev/ 1.368e+00 3.110 2.295e+03 / nc5h12 + o2cho<=>c5h11-2+ho2cho 1.120e+13 0.000 1.769e+04 rev/ 4.306e+03 2.130 4.147e+03 / nc5h12 + o2cho<=>c5h11-3+ho2cho 5.600e+12 0.000 1.769e+04 rev/ 4.318e+03 2.130 4.149e+03 / nc5h12+ch3o<=>c5h11-1+ch3oh 3.000e+11 0.000 7.000e+03 rev/ 1.200e+10 0.000 9.200e+03 / nc5h12+ch3o<=>c5h11-2+ch3oh 2.200e+11 0.000 5.000e+03 rev/ 9.000e+09 0.000 7.200e+03 / nc5h12+ch3o<=>c5h11-3+ch3oh 1.100e+11 0.000 5.000e+03 rev/ 9.000e+09 0.000 7.200e+03 / nc5h12 + o2<=>c5h11-1+ho2 4.200e+13 0.000 5.280e+04 rev/ 2.311e+10 0.288 4.460e+02 / nc5h12 + o2<=>c5h11-2+ho2 2.800e+13 0.000 5.016e+04 rev/ 6.370e+08 0.691 2.310e+02 / nc5h12 + o2<=>c5h11-3+ho2 1.400e+13 0.000 5.016e+04 rev/ 6.611e+08 0.686 2.390e+02 / c5h11-1<=>c2h4+nc3h7 3.205e+12 0.451 2.943e+04 rev/ 8.800e+03 2.480 6.130e+03 / c5h11-1<=>h+c5h10-1 3.354e+11 0.608 3.564e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h11-1<=>c5h11-2 3.875e+09 0.353 1.976e+04 rev/ 1.602e+08 0.756 2.220e+04 / c5h11-2<=>c3h6+c2h5 1.223e+12 0.635 2.936e+04 rev/ 8.800e+03 2.480 6.130e+03 / c5h11-2<=>c5h10-1+h 2.353e+10 1.011 3.668e+04 rev/ 4.240e+11 0.510 1.230e+03 / c5h11-2<=>c5h10-2+h 3.988e+11 0.410 3.522e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h11-3<=>c4h8-1+ch3 6.343e+10 1.119 3.046e+04 rev/ 1.760e+04 2.480 6.130e+03 / c5h11-3<=>c5h10-2+h 8.277e+11 0.405 3.523e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h10-1<=>c2h5+c3h5-a 9.864e+21 -2.086 7.506e+04 rev/ 4.000e+12 0.000 -5.960e+02 / c5h10-1+h<=>c5h91-3+h2 3.376e+05 2.360 2.070e+02 rev/ 3.096e+05 2.530 2.032e+04 / c5h10-1+h<=>c5h91-4+h2 1.300e+06 2.400 4.471e+03 rev/ 2.777e+02 3.170 1.124e+04 / c5h10-1+h<=>c5h91-5+h2 6.650e+05 2.540 6.756e+03 rev/ 2.193e+03 2.960 1.102e+04 / c5h10-1+o<=>c5h91-3 + oh 6.600e+05 2.430 1.210e+03 rev/ 2.658e+05 2.600 1.923e+04 / c5h10-1+o<=>c5h91-4 + oh 5.510e+05 2.450 2.830e+03 rev/ 5.169e+01 3.220 7.505e+03 / c5h10-1+o<=>c5h91-5 + oh 9.800e+05 2.430 4.750e+03 rev/ 1.419e+03 2.850 6.915e+03 / c5h10-1 + oh<=>c5h91-3+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.097e+05 2.810 3.335e+04 / c5h10-1 + oh<=>c5h91-4+h2o 4.670e+07 1.610 -3.500e+01 rev/ 4.319e+04 2.380 2.189e+04 / c5h10-1 + oh<=>c5h91-5+h2o 5.270e+09 0.970 1.586e+03 rev/ 7.524e+07 1.390 2.100e+04 / c5h10-1+ch3<=>c5h91-3+ch4 3.690e+00 3.310 4.002e+03 rev/ 8.840e+01 3.480 2.459e+04 / c5h10-1+ch3<=>c5h91-4+ch4 1.510e+00 3.460 5.481e+03 rev/ 8.426e-03 4.230 1.273e+04 / c5h10-1+ch3<=>c5h91-5+ch4 4.521e-01 3.650 7.154e+03 rev/ 3.895e-02 4.070 1.189e+04 / c5h10-1 + o2<=>c5h91-3+ho2 2.200e+12 0.000 3.722e+04 rev/ 3.665e+10 0.490 -1.520e+02 / c5h10-1 + o2<=>c5h91-4+ho2 2.000e+13 0.000 4.964e+04 rev/ 7.760e+07 1.090 -1.072e+03 / c5h10-1 + o2<=>c5h91-5+ho2 3.000e+13 0.000 5.229e+04 rev/ 1.797e+09 0.750 -9.320e+02 / c5h10-1+ho2<=>c5h91-3+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.136e+05 2.390 1.433e+04 / c5h10-1+ho2<=>c5h91-4+h2o2 9.640e+03 2.600 1.391e+04 rev/ 5.292e+01 3.040 4.372e+03 / c5h10-1+ho2<=>c5h91-5+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.017e+03 2.640 4.446e+03 / c5h10-1+ch3o2<=>c5h91-3+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 2.366e+05 2.210 1.131e+04 / c5h10-1+ch3o2<=>c5h91-4+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 1.102e+02 2.860 1.352e+03 / c5h10-1+ch3o2<=>c5h91-5+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 4.200e+03 2.470 1.426e+03 / c5h10-1+ch3o<=>c5h91-3+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 1.769e+01 3.090 2.699e+04 / c5h10-1+ch3o<=>c5h91-4+ch3oh 1.450e+11 0.000 4.571e+03 rev/ 1.493e+07 0.790 9.611e+03 / c5h10-1+ch3o<=>c5h91-5+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 3.450e+08 0.450 8.988e+03 / c5h10-2+h<=>c5h91-3+h2 1.730e+05 2.500 2.492e+03 rev/ 4.561e+06 2.060 1.975e+04 / c5h10-2+h<=>c5h92-4+h2 3.376e+05 2.360 2.070e+02 rev/ 4.361e+06 2.100 2.033e+04 / c5h10-2+h<=>c5h92-5+h2 6.651e+05 2.540 6.756e+03 rev/ 3.085e+04 2.540 1.103e+04 / c5h10-2+o<=>c5h91-3 + oh 4.410e+05 2.420 3.150e+03 rev/ 5.107e+06 1.980 1.831e+04 / c5h10-2+o<=>c5h92-4 + oh 9.900e+05 2.430 1.210e+03 rev/ 5.617e+06 2.170 1.924e+04 / c5h10-2+o<=>c5h92-5 + oh 9.800e+05 2.430 4.750e+03 rev/ 1.996e+04 2.420 6.931e+03 / c5h10-2 + oh<=>c5h91-3+h2o 3.120e+06 2.000 -2.980e+02 rev/ 3.562e+08 1.560 3.211e+04 / c5h10-2 + oh<=>c5h92-4+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.546e+06 2.380 3.336e+04 / c5h10-2 + oh<=>c5h92-5+h2o 5.270e+09 0.970 1.586e+03 rev/ 1.058e+09 0.960 2.102e+04 / c5h10-2+ch3<=>c5h91-3+ch4 2.210e+00 3.500 5.675e+03 rev/ 1.522e+03 3.060 2.341e+04 / c5h10-2+ch3<=>c5h92-4+ch4 3.690e+00 3.310 4.002e+03 rev/ 1.245e+03 3.050 2.461e+04 / c5h10-2+ch3<=>c5h92-5+ch4 4.521e-01 3.650 7.154e+03 rev/ 5.478e-01 3.640 1.191e+04 / c5h10-2 + o2<=>c5h91-3+ho2 3.300e+12 0.000 3.990e+04 rev/ 1.581e+12 -0.110 -3.260e+02 / c5h10-2 + o2<=>c5h92-4+ho2 2.200e+12 0.000 3.722e+04 rev/ 5.163e+11 0.070 -1.360e+02 / c5h10-2 + o2<=>c5h92-5+ho2 3.000e+13 0.000 5.229e+04 rev/ 2.528e+10 0.320 -9.160e+02 / c5h10-2+ho2<=>c5h91-3+h2o2 9.639e+03 2.600 1.391e+04 rev/ 6.532e+06 1.840 1.486e+04 / c5h10-2+ho2<=>c5h92-4+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.600e+06 1.960 1.435e+04 / c5h10-2+ho2<=>c5h92-5+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.837e+04 2.220 4.462e+03 / c5h10-2+ch3o2<=>c5h91-3+ch3o2h 9.639e+03 2.600 1.391e+04 rev/ 1.360e+07 1.660 1.184e+04 / c5h10-2+ch3o2<=>c5h92-4+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 3.332e+06 1.790 1.133e+04 / c5h10-2+ch3o2<=>c5h92-5+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 5.908e+04 2.040 1.442e+03 / c5h10-2+ch3o<=>c5h91-3+ch3oh 9.000e+01 2.950 1.199e+04 rev/ 1.144e+03 2.540 2.751e+04 / c5h10-2+ch3o<=>c5h92-4+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 2.491e+02 2.670 2.701e+04 / c5h10-2+ch3o<=>c5h92-5+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 4.853e+09 0.020 9.004e+03 / c5h91-3+ho2<=>c5h9o1-3 + oh 9.640e+12 0.000 0.000e+00 rev/ 6.088e+15 -1.070 1.572e+04 / c5h91-3+ch3o2<=>c5h9o1-3+ch3o 9.640e+12 0.000 0.000e+00 rev/ 5.946e+17 -1.650 2.048e+04 / c5h91-3+c2h5o2<=>c5h9o1-3+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 3.893e+14 -0.720 1.833e+04 / c5h92-4+ho2<=>c5h9o2-4 + oh 9.640e+12 0.000 0.000e+00 rev/ 7.027e+15 -1.240 1.589e+04 / c5h92-4+ch3o2<=>c5h9o2-4+ch3o 9.640e+12 0.000 0.000e+00 rev/ 6.863e+17 -1.820 2.065e+04 / c5h92-4+c2h5o2<=>c5h9o2-4+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 4.493e+14 -0.890 1.849e+04 / c5h91-3<=>c4h6+ch3 7.554e+14 -0.520 3.852e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h91-3<=>c5h81-3+h 4.733e+11 0.636 4.264e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h91-4<=>c3h6+c2h3 5.814e+11 0.170 3.585e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h91-5<=>c2h4+c3h5-a 7.157e+16 -1.420 1.775e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h92-4<=>c5h81-3+h 2.015e+15 -0.340 4.603e+04 rev/ 1.000e+13 0.000 1.200e+03 / c5h92-5<=>c2h4+c3h5-s 8.899e+16 -1.180 4.218e+04 rev/ 2.000e+11 0.000 7.800e+03 / c5h9o1-3<=>c2h3cho+c2h5 3.131e+19 -1.850 1.067e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h9o1-3<=>c2h5cho+c2h3 1.417e+18 -1.560 2.334e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h81-3 + oh<=>ch2o+c4h71-3 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h81-3 + oh<=>c2h3cho+c2h5 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h81-3 + oh<=>ch3cho+c3h5-s 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h9o2-4<=>sc3h5cho+ch3 5.983e+15 -1.130 9.941e+03 rev/ 1.000e+11 0.000 9.600e+03 / c5h9o2-4<=>ch3cho+c3h5-s 1.073e+22 -2.660 2.965e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h10-2<=>ch3+c4h71-3 6.486e+19 -1.367 7.632e+04 rev/ 8.000e+12 0.000 -5.960e+02 / c5h11-1 + o2<=>c5h10-1+ho2 8.370e-01 3.590 1.196e+04 rev/ 1.307e+00 3.420 2.781e+04 / c5h11-2 + o2<=>c5h10-1+ho2 5.350e-01 3.710 9.322e+03 rev/ 2.021e+01 3.137 2.274e+04 / c5h11-2 + o2<=>c5h10-2+ho2 1.070e+00 3.710 9.322e+03 rev/ 1.406e+00 3.738 2.559e+04 / c5h11-3 + o2<=>c5h10-2+ho2 2.140e+00 3.710 9.322e+03 rev/ 1.355e+00 3.743 2.558e+04 / c5h11-1+ho2<=>c5h11o-1 + oh 9.000e+12 0.000 -1.000e+03 rev/ 1.944e+15 -0.479 2.621e+04 / c5h11-2+ho2<=>c5h11o-2 + oh 9.000e+12 0.000 -1.000e+03 rev/ 3.143e+17 -1.132 2.822e+04 / c5h11-3+ho2<=>c5h11o-3 + oh 9.000e+12 0.000 -1.000e+03 rev/ 3.019e+17 -1.127 2.821e+04 / c5h11-1+ch3o2<=>c5h11o-1+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.216e+14 -0.180 3.045e+04 / c5h11-2+ch3o2<=>c5h11o-2+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.966e+16 -0.833 3.246e+04 / c5h11-3+ch3o2<=>c5h11o-3+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.889e+16 -0.828 3.245e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11-1+c5h11o2-1<=>c5h11o-1+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 5.940e+13 -0.130 2.991e+04 / c5h11-1+c5h11o2-2<=>c5h11o-1+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 5.285e+13 -0.116 2.960e+04 / c5h11-1+c5h11o2-3<=>c5h11o-1+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.053e+14 -0.116 2.960e+04 / c5h11-2+c5h11o2-1<=>c5h11o-2+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 9.604e+15 -0.783 3.192e+04 / c5h11-2+c5h11o2-2<=>c5h11o-2+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 8.544e+15 -0.769 3.162e+04 / c5h11-2+c5h11o2-3<=>c5h11o-2+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.703e+16 -0.769 3.162e+04 / c5h11-3+c5h11o2-1<=>c5h11o-3+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 9.225e+15 -0.778 3.192e+04 / c5h11-3+c5h11o2-2<=>c5h11o-3+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 8.206e+15 -0.764 3.161e+04 / c5h11-3+c5h11o2-3<=>c5h11o-3+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.636e+16 -0.764 3.161e+04 / c5h11o2-1+c5h11o2-2<=>o2+c5h11o-1+c5h11o-2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+c5h11o2-3<=>o2+c5h11o-1+c5h11o-3 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+ch3o2<=>o2+c5h11o-1+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+c5h11o2-1<=>o2+c5h11o-1+c5h11o-1 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-1<=>ho2+c5h11o2h-1 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-1+ho2<=>c5h11o2h-1 + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.746e+13 -0.791 3.362e+04 / c5h11o2-2+ch3o2<=>o2+c5h11o-2+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-2+c5h11o2-3<=>c5h11o-2+c5h11o-3 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-2+c5h11o2-2<=>o2+c5h11o-2+c5h11o-2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-2<=>ho2+c5h11o2h-2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-2+ho2<=>c5h11o2h-2 + o2 1.750e+10 0.000 -3.275e+03 rev/ 4.380e+13 -0.812 3.364e+04 / c5h11o2-3+ch3o2<=>o2+c5h11o-3+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-3+c5h11o2-3<=>o2+c5h11o-3+c5h11o-3 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-3<=>ho2+c5h11o2h-3 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-3+ho2<=>c5h11o2h-3 + o2 1.750e+10 0.000 -3.275e+03 rev/ 4.380e+13 -0.812 3.364e+04 / c5h11o2h-1<=>c5h11o-1 + oh 1.500e+16 0.000 4.250e+04 rev/ 2.927e+07 1.932 -3.022e+03 / c5h11o2h-2<=>c5h11o-2 + oh 9.450e+15 0.000 4.160e+04 rev/ 1.403e+07 1.968 -4.252e+03 / c5h11o2h-3<=>c5h11o-3 + oh 9.450e+15 0.000 4.160e+04 rev/ 2.797e+07 1.968 -4.252e+03 / c5h11o-1<=>ch2o+pc4h9 5.661e+20 -2.247 2.496e+04 rev/ 6.250e+10 0.000 1.190e+04 / c5h11o-2<=>ch3cho+nc3h7 1.689e+22 -2.601 1.955e+04 rev/ 7.500e+10 0.000 1.190e+04 / c5h11o-3<=>c2h5+c2h5cho 1.239e+18 -1.199 1.859e+04 rev/ 8.500e+10 0.000 1.190e+04 / c5h11o2-1<=>c5h11-1 + o2 2.338e+20 -1.620 3.583e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h11o2-2<=>c5h11-2 + o2 7.087e+22 -2.287 3.815e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h11o2-3<=>c5h11-3 + o2 3.415e+22 -2.282 3.815e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h11o2-1<=>c5h10ooh1-2 2.000e+11 0.000 2.685e+04 rev/ 2.083e+10 -0.106 1.385e+04 / c5h11o2-1<=>c5h10ooh1-3 2.500e+10 0.000 2.085e+04 rev/ 2.604e+09 -0.106 7.850e+03 / c5h11o2-1<=>c5h10ooh1-4 3.125e+09 0.000 1.865E+04 rev/ 3.255e+08 -0.106 6.050e+03 / c5h11o2-1<=>c5h10ooh1-5 5.860e+08 0.000 2.515E+04 rev/ 1.379e+09 -0.503 1.009e+04 / c5h11o2-2<=>c5h10ooh2-1 3.000e+11 0.000 2.940e+04 rev/ 7.790e+11 -0.517 1.396e+04 / c5h11o2-2<=>c5h10ooh2-3 2.000e+11 0.000 2.685e+04 rev/ 2.698e+10 -0.140 1.390e+04 / c5h11o2-2<=>c5h10ooh2-4 2.500e+10 0.000 2.085e+04 rev/ 3.372e+09 -0.140 7.900e+03 / c5h11o2-2<=>c5h10ooh2-5 4.688e+09 0.000 2.195E+04 rev/ 1.217e+10 -0.517 6.910e+03 / c5h11o2-3<=>c5h10ooh3-1 7.500e+10 0.000 2.400E+04 rev/ 1.948e+11 -0.517 8.960e+03 / c5h11o2-3<=>c5h10ooh3-2 4.000e+11 0.000 2.685e+04 rev/ 5.396e+10 -0.140 1.390e+04 / c5h11o2-1<=>c5h10-1+ho2 5.044e+38 -8.110 4.049e+04 rev/ 1.523e+31 -6.660 2.051e+04 / c5h11o2-2<=>c5h10-1+ho2 5.075e+42 -9.410 4.149e+04 rev/ 2.039e+34 -7.696 1.675e+04 / c5h11o2-2<=>c5h10-2+ho2 5.044e+38 -8.110 4.049e+04 rev/ 7.050e+28 -5.795 1.860e+04 / c5h11o2-3<=>c5h10-2+ho2 1.009e+39 -8.110 4.049e+04 rev/ 1.410e+29 -5.795 1.860e+04 / c5h10ooh1-2<=>c5h10o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-3<=>c5h10o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-4<=>c5h10o1-4 + oh 9.375e+09 0.000 6.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-5<=>c5h10o1-5 + oh 1.172e+09 0.000 1.800e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-1<=>c5h10o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-3<=>c5h10o2-3 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-4<=>c5h10o2-4 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-5<=>c5h10o1-4 + oh 9.375e+09 0.000 6.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-2<=>c5h10o2-3 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-1<=>c5h10o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2 + oh<=>ch2co+nc3h7+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3 + oh<=>c2h4+c2h5co+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4 + oh<=>ch3coch2+c2h4+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5 + oh<=>ch2ch2cho+c2h4+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3 + oh<=>ch3chco+c2h5+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4 + oh<=>ch3co+c3h6+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2 + oh<=>c2h3cho+c2h5+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3 + oh<=>hco+c4h8-1+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4 + oh<=>ch2cho+c3h6+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5 + oh<=>ch2o+c4h71-3+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3 + oh<=>c2h3coch3+ch3+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4 + oh<=>ch3cho+c3h5-s+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2+ho2<=>ch2co+nc3h7+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3+ho2<=>c2h4+c2h5co+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4+ho2<=>ch3coch2+c2h4+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5+ho2<=>ch2ch2cho+c2h4+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3+ho2<=>ch3chco+c2h5+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4+ho2<=>ch3co+c3h6+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2+ho2<=>c2h3cho+c2h5+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3+ho2<=>hco+c4h8-1+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4+ho2<=>ch2cho+c3h6+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5+ho2<=>ch2o+c4h71-3+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3+ho2<=>c2h3coch3+ch3+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4+ho2<=>ch3cho+c3h5-s+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-2<=>c5h10-1+ho2 3.449e+17 -1.556 1.798e+04 rev/ 1.000e+11 0.000 1.100e+04 / c5h10ooh2-1<=>c5h10-1+ho2 6.462e+19 -2.231 2.105e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh2-3<=>c5h10-2+ho2 9.651e+19 -2.455 2.068e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh3-2<=>c5h10-2+ho2 9.651e+19 -2.455 2.068e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh1-3<=>oh+ch2o+c4h8-1 8.283e+13 -0.170 3.009e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-4<=>oh+ch3cho+c3h6 8.312e+17 -1.400 2.717e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-1<=>oh+c2h5cho+c2h4 3.096e+18 -1.730 2.682e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-2o2<=>c5h10ooh1-2 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-3o2<=>c5h10ooh1-3 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-4o2<=>c5h10ooh1-4 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-5o2<=>c5h10ooh1-5 + o2 2.777e+20 -1.623 3.569e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh2-1o2<=>c5h10ooh2-1 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh2-3o2<=>c5h10ooh2-3 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh2-4o2<=>c5h10ooh2-4 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh2-5o2<=>c5h10ooh2-5 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh3-1o2<=>c5h10ooh3-1 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh3-2o2<=>c5h10ooh3-2 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-2o2<=>nc5ket12 + oh 2.000e+11 0.000 2.600E+04 rev/ 2.780e+04 1.354 4.895e+04 / c5h10ooh1-3o2<=>nc5ket13 + oh 2.500e+10 0.000 2.100E+04 rev/ 1.109e+03 1.533 4.474e+04 / c5h10ooh1-4o2<=>nc5ket14 + oh 3.125e+09 0.000 1.895E+04 rev/ 1.386e+02 1.533 4.269e+04 / c5h10ooh1-5o2<=>nc5ket15 + oh 3.907e+08 0.000 2.215E+04 rev/ 2.011e+01 1.504 4.588e+04 / c5h10ooh2-1o2<=>nc5ket21 + oh 1.000e+11 0.000 2.345E+04 rev/ 2.785e+02 1.883 5.005e+04 / c5h10ooh2-3o2<=>nc5ket23 + oh 1.000e+11 0.000 2.345E+04 rev/ 1.346e+03 1.773 4.912e+04 / c5h10ooh2-4o2<=>nc5ket24 + oh 1.250e+10 0.000 1.745E+04 rev/ 5.624e+01 1.946 4.391e+04 / c5h10ooh2-5o2<=>nc5ket25 + oh 1.563e+09 0.000 1.565E+04 rev/ 9.716e+00 1.893 4.212e+04 / c5h10ooh3-1o2<=>nc5ket31 + oh 1.250e+10 0.000 1.745E+04 rev/ 6.548e+01 1.882 4.422e+04 / c5h10ooh3-2o2<=>nc5ket32 + oh 1.000e+11 0.000 2.345E+04 rev/ 9.884e+02 1.781 4.939e+04 / nc5ket12<=>nc3h7cho+hco + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket13<=>c2h5cho+ch2cho + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket14<=>ch3cho+ch2ch2cho + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket15<=>ch2o+c3h6cho-1 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket21<=>ch2o+nc3h7co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket23<=>c2h5cho+ch3co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket24<=>ch3cho+ch3coch2 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket25<=>ch2o+ch2ch2coch3 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket31<=>ch2o+c2h5coch2 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket32<=>ch3cho+c2h5co + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh-1<=>c5h10-1 + oh 1.500e+13 0.000 2.583e+04 rev/ 4.750e+12 0.000 -7.820e+02 / c5h10oh-2<=>c5h10-2 + oh 1.500e+13 0.000 2.583e+04 rev/ 4.750e+12 0.000 -7.820e+02 / o2c5h10oh-1<=>c5h10oh-1 + o2 1.058e+21 -1.840 3.775e+04 rev/ 2.000e+12 0.000 0.000e+00 / o2c5h10oh-1<=>nc3h7cho+ch2o + oh 2.500e+10 0.000 1.886e+04 rev/ 0.000e+00 0.000 0.000e+00 / o2c5h10oh-2<=>c5h10oh-2 + o2 3.385e+21 -2.010 3.787e+04 rev/ 2.000e+12 0.000 0.000e+00 / o2c5h10oh-2<=>c2h5cho+ch3cho + oh 2.500e+10 0.000 1.886e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! nc6h14<=>c5h11-1+ch3 1.608e+22 -1.61 8.935e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>nc3h7+nc3h7 2.169e+24 -2.19 8.784e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>pc4h9+c2h5 1.617e+24 -2.21 8.858e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>c6h13-1+h 1.356e+17 -0.36 1.012e+05 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14<=>c6h13-2+h 2.088e+18 -0.70 9.871e+04 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14<=>c6h13-3+h 2.088e+18 -0.70 9.871e+04 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14+h<=>c6h13-1+h2 1.880e+05 2.75 6.280e+03 rev/ 1.998e+01 3.38 8.615e+03 / nc6h14+h<=>c6h13-2+h2 2.600e+06 2.40 4.471e+03 rev/ 1.795e+01 3.38 9.318e+03 / nc6h14+h<=>c6h13-3+h2 2.600e+06 2.40 4.471e+03 rev/ 1.795e+01 3.38 9.318e+03 / nc6h14+o<=>c6h13-1 + oh 2.092e+06 2.42 4.766e+03 rev/ 1.167e+02 3.04 5.689e+03 / nc6h14+o<=>c6h13-2 + oh 1.189e+06 2.44 2.846e+03 rev/ 4.308e+00 3.40 6.281e+03 / nc6h14+o<=>c6h13-3 + oh 1.189e+06 2.44 2.846e+03 rev/ 4.308e+00 3.40 6.281e+03 / nc6h14 + oh<=>c6h13-1+h2o 1.056E+10 0.97 1.590E+03 rev/ 2.906e+04 2.33 1.818e+04 / nc6h14 + oh<=>c6h13-2+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.599e+02 2.87 1.914e+04 / nc6h14 + oh<=>c6h13-3+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.599e+02 2.87 1.914e+04 / nc6h14+ch3<=>c6h13-1+ch4 9.040e-01 3.65 7.154e+03 rev/ 8.770e-02 3.84 1.103e+04 / nc6h14+ch3<=>c6h13-3+ch4 1.680e+05 2.13 7.574e+03 rev/ 1.058e+03 2.67 1.396e+04 / nc6h14+ch3<=>c6h13-2+ch4 1.680e+05 2.13 7.574e+03 rev/ 1.058e+03 2.67 1.396e+04 / nc6h14+ho2<=>c6h13-1+h2o2 8.100e+04 2.50 1.669e+04 rev/ 4.983e+03 2.44 3.025e+03 / nc6h14+ho2<=>c6h13-2+h2o2 1.176e+05 2.50 1.486e+04 rev/ 4.699e+02 2.78 3.709e+03 / nc6h14+ho2<=>c6h13-3+h2o2 1.176e+05 2.50 1.486e+04 rev/ 4.699e+02 2.78 3.709e+03 / nc6h14+ch3o<=>c6h13-1+ch3oh 3.160e+11 0.00 7.000e+03 rev/ 1.200e+10 0.00 9.200e+03 / nc6h14+ch3o<=>c6h13-2+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.910e+09 0.00 7.200e+03 / nc6h14+ch3o<=>c6h13-3+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.910e+09 0.00 7.200e+03 / nc6h14 + o2<=>c6h13-1+ho2 4.200e+13 0.00 5.280e+04 rev/ 2.342e+10 0.29 4.510e+02 / nc6h14 + o2<=>c6h13-2+ho2 2.800e+13 0.00 5.016e+04 rev/ 1.014e+09 0.63 3.130e+02 / nc6h14 + o2<=>c6h13-3+ho2 2.800e+13 0.00 5.016e+04 rev/ 1.014e+09 0.63 3.130e+02 / nc6h14+c2h5<=>c6h13-1+c2h6 1.000e+11 0.00 1.340e+04 rev/ 3.240e+11 0.00 1.230e+04 / nc6h14+c2h5<=>c6h13-2+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc6h14+c2h5<=>c6h13-3+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc6h14+c2h3<=>c6h13-1+c2h4 1.000e+12 0.00 1.800e+04 rev/ 2.570e+12 0.00 2.540e+04 / nc6h14+c2h3<=>c6h13-2+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc6h14+c2h3<=>c6h13-3+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc6h14+ch3o2<=>c6h13-1+ch3o2h 8.100e+04 2.50 1.669e+04 rev/ 9.695e+04 2.00 1.430e+03 / nc6h14+ch3o2<=>c6h13-2+ch3o2h 1.176e+05 2.50 1.486e+04 rev/ 9.141e+03 2.34 2.114e+03 / nc6h14+ch3o2<=>c6h13-3+ch3o2h 1.176e+05 2.50 1.486e+04 rev/ 9.141e+03 2.34 2.114e+03 / nc6h14 + o2cho<=>c6h13-1+ho2cho 1.680e+13 0.00 2.044e+04 rev/ 5.692e+02 2.30 3.060e+03 / nc6h14 + o2cho<=>c6h13-2+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.464e+01 2.64 2.823e+03 / nc6h14 + o2cho<=>c6h13-3+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.464e+01 2.64 2.823e+03 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc6h14+c6h13-1<=>nc6h14+c6h13-2 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc6h14+c6h13-1<=>nc6h14+c6h13-3 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc6h14+c6h13-2<=>nc6h14+c6h13-3 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / c6h13-1+ho2<=>c6h13o-1 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.266e+15 -0.56 2.615e+04 / c6h13-2+ho2<=>c6h13o-2 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.073e+17 -1.15 2.807e+04 / c6h13-3+ho2<=>c6h13o-3 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.073e+17 -1.15 2.807e+04 / c6h13-1+ch3o2<=>c6h13o-1+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 2.043e+14 -0.26 3.039e+04 / c6h13-2+ch3o2<=>c6h13o-2+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.922e+16 -0.85 3.231e+04 / c6h13-3+ch3o2<=>c6h13o-3+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.922e+16 -0.85 3.231e+04 / c6h13-1 + o2<=>c6h12-1+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-2 + o2<=>c6h12-1+ho2 4.500e-19 0.00 5.020e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-2 + o2<=>c6h12-2+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-3 + o2<=>c6h12-2+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-3 + o2<=>c6h12-3+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-1<=>c2h4+pc4h9 6.391e+19 -1.97 3.064e+04 rev/ 3.300e+11 0.00 7.200e+03 / c6h13-1<=>c6h12-1+h 9.621e+13 -0.26 3.600e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-2<=>c3h6+nc3h7 1.827e+19 -1.80 3.017e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-2<=>c6h12-1+h 6.248e+12 0.09 3.682e+04 rev/ 1.000e+13 0.00 1.200e+03 / c6h13-2<=>c6h12-2+h 1.271e+13 -0.09 3.565e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-3<=>c4h8-1+c2h5 1.202e+19 -1.76 3.045e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-3<=>c5h10-1+ch3 1.671e+16 -0.93 3.148e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-3<=>c6h12-2+h 1.271e+13 -0.09 3.565e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-3<=>c6h12-3+h 4.659e+12 -0.02 3.574e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-1<=>c6h13-2 5.478e+08 1.62 3.876e+04 rev/ 3.558e+07 1.97 4.127e+04 / c6h13-1<=>c6h13-3 1.495e+09 0.97 3.376e+04 rev/ 9.709e+07 1.31 3.627e+04 / c6h12-1<=>nc3h7+c3h5-a 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-2<=>c2h5+c4h71-3 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-3<=>ch3+c5h91-3 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-1 + oh<=>c5h11-1+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-2 + oh<=>pc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-3 + oh<=>pc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-1+o<=>c5h11-1+hco 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-2+o<=>pc4h9+ch3co 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-1+h<=>c6h111-3+h2 3.376e+05 2.36 2.070e+02 rev/ 4.378e+06 2.10 2.033e+04 / c6h12-1+h<=>c6h111-4+h2 1.300e+06 2.40 4.471e+03 rev/ 3.896e+03 2.74 1.125e+04 / c6h12-1+h<=>c6h111-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.896e+03 2.74 1.125e+04 / c6h12-1+h<=>c6h111-6+h2 6.650e+05 2.54 6.756e+03 rev/ 3.120e+04 2.54 1.103e+04 / c6h12-1 + oh<=>c6h111-3+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.552e+06 2.38 3.336e+04 / c6h12-1 + oh<=>c6h111-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.060e+05 1.95 2.190e+04 / c6h12-1 + oh<=>c6h111-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.060e+05 1.95 2.190e+04 / c6h12-1 + oh<=>c6h111-6+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.97 2.101e+04 / c6h12-1+ch3<=>c6h111-3+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.250e+03 3.05 2.460e+04 / c6h12-1+ch3<=>c6h111-4+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.182e-01 3.80 1.274e+04 / c6h12-1+ch3<=>c6h111-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.182e-01 3.80 1.274e+04 / c6h12-1+ch3<=>c6h111-6+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.541e-01 3.65 1.190e+04 / ! ! ! c6h12-1+ho2<=>c6h111-3+h2o2 9.640e+03 2.55 1.053e+04 !!!!4.820e+03 2.55 1.053e+04 mm !!rev/ 1.606e+06 1.96 1.434e+04 / c6h12-1+ho2<=>c6h111-4+h2o2 9.640e+03 2.60 1.391e+04 !!rev/ 7.425e+02 2.61 4.382e+03 / c6h12-1+ho2<=>c6h111-5+h2o2 9.640e+03 2.60 1.391e+04 !!rev/ 7.425e+02 2.61 4.382e+03 / c6h12-1+ho2<=>c6h111-6+h2o2 2.380e+04 2.55 1.649e+04 !!rev/ 2.870e+04 2.22 4.456e+03 / ! ! c6h12-1+ch3o2<=>c6h111-3+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.345e+06 1.79 1.132e+04 / c6h12-1+ch3o2<=>c6h111-4+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.546e+03 2.44 1.362e+03 / c6h12-1+ch3o2<=>c6h111-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.546e+03 2.44 1.362e+03 / c6h12-1+ch3o2<=>c6h111-6+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.976e+04 2.04 1.436e+03 / c6h12-1+ch3o<=>c6h111-3+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.501e+02 2.67 2.700e+04 / c6h12-1+ch3o<=>c6h111-4+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.095e+08 0.37 9.621e+03 / c6h12-1+ch3o<=>c6h111-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.095e+08 0.37 9.621e+03 / c6h12-1+ch3o<=>c6h111-6+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.908e+09 0.02 8.998e+03 / c6h12-2+h<=>c6h111-3+h2 1.730e+05 2.50 2.492e+03 rev/ 4.563e+06 2.06 1.974e+04 / c6h12-2+h<=>c6h112-4+h2 3.376e+05 2.36 2.070e+02 rev/ 4.384e+06 2.10 2.033e+04 / c6h12-2+h<=>c6h112-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.921e+03 2.74 1.125e+04 / c6h12-2+h<=>c6h112-6+h2 6.651e+05 2.54 6.756e+03 rev/ 3.122e+04 2.53 1.103e+04 / c6h12-2 + oh<=>c6h111-3+h2o 3.120e+06 2.00 -2.980e+02 rev/ 3.563e+08 1.56 3.211e+04 / c6h12-2 + oh<=>c6h112-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.554e+06 2.38 3.336e+04 / c6h12-2 + oh<=>c6h112-5+h2o 4.670e+05 1.61 -3.500e+01 rev/ 6.099e+03 1.95 2.190e+04 / c6h12-2 + oh<=>c6h112-6+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.96 2.101e+04 / c6h12-2+ch3<=>c6h111-3+ch4 2.210e+00 3.50 5.675e+03 rev/ 1.523e+03 3.06 2.341e+04 / c6h12-2+ch3<=>c6h112-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.252e+03 3.05 2.460e+04 / c6h12-2+ch3<=>c6h112-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.190e-01 3.80 1.274e+04 / c6h12-2+ch3<=>c6h112-6+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.543e-01 3.64 1.190e+04 / c6h12-2+ho2<=>c6h111-3+h2o2 9.639e+03 2.60 1.391e+04 rev/ 6.534e+06 1.84 1.485e+04 / c6h12-2+ho2<=>c6h112-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.609e+06 1.96 1.434e+04 / c6h12-2+ho2<=>c6h112-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.473e+02 2.61 4.382e+03 / c6h12-2+ho2<=>c6h112-6+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.871e+04 2.22 4.456e+03 / c6h12-2+ch3o2<=>c6h111-3+ch3o2h 9.639e+03 2.60 1.391e+04 rev/ 1.361e+07 1.66 1.183e+04 / c6h12-2+ch3o2<=>c6h112-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.350e+06 1.79 1.132e+04 / c6h12-2+ch3o2<=>c6h112-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.556e+03 2.44 1.362e+03 / c6h12-2+ch3o2<=>c6h112-6+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.978e+04 2.04 1.436e+03 / c6h12-2+ch3o<=>c6h111-3+ch3oh 9.000e+01 2.95 1.199e+04 rev/ 1.144e+03 2.54 2.751e+04 / c6h12-2+ch3o<=>c6h112-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.504e+02 2.66 2.700e+04 / c6h12-2+ch3o<=>c6h112-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.109e+08 0.37 9.621e+03 / c6h12-2+ch3o<=>c6h112-6+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.910e+09 0.02 8.998e+03 / c6h12-3+h<=>c6h113-1+h2 1.330e+06 2.54 6.756e+03 rev/ 3.078e+04 2.54 1.103e+04 / c6h12-3+h<=>c6h112-4+h2 6.752e+05 2.36 2.070e+02 rev/ 3.215e+06 2.17 2.042e+04 / c6h12-3 + oh<=>c6h113-1+h2o 1.054e+10 0.97 1.586e+03 rev/ 1.056e+09 0.97 2.101e+04 / c6h12-3 + oh<=>c6h112-4+h2o 5.528e+04 2.64 -1.919e+03 rev/ 1.140e+06 2.45 3.345e+04 / c6h12-3+ch3<=>c6h113-1+ch4 9.042e-01 3.65 7.154e+03 rev/ 5.467e-01 3.65 1.190e+04 / c6h12-3+ch3<=>c6h112-4+ch4 7.380e+00 3.31 4.002e+03 rev/ 9.179e+02 3.12 2.469e+04 / c6h12-3+ho2<=>c6h113-1+h2o2 4.760e+04 2.55 1.649e+04 rev/ 2.832e+04 2.22 4.456e+03 / c6h12-3+ho2<=>c6h112-4+h2o2 9.640e+03 2.55 1.053e+04 rev/ 1.180e+06 2.03 1.443e+04 / c6h12-3+ch3o2<=>c6h113-1+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 5.896e+04 2.04 1.436e+03 / c6h12-3+ch3o2<=>c6h112-4+ch3o2h 9.640e+03 2.55 1.053e+04 rev/ 2.456e+06 1.85 1.141e+04 / c6h12-3+ch3o<=>c6h113-1+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 4.843e+09 0.02 8.998e+03 / c6h12-3+ch3o<=>c6h112-4+ch3oh 8.000e+01 2.90 8.609e+03 rev/ 1.836e+02 2.73 2.709e+04 / c6h111-3+ho2<=>c6h11o1-3 + oh 9.640e+12 0.00 0.000e+00 rev/ 1.070e+16 -1.14 1.580e+04 / c6h111-3+ch3o2<=>c6h11o1-3+ch3o 9.640e+12 0.00 0.000e+00 rev/ 1.045e+18 -1.72 2.057e+04 / c6h111-3+c2h5o2<=>c6h11o1-3+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 6.844e+14 -0.80 1.841e+04 / c6h111-6<=>c6h111-3 1.113e+12 0.00 3.170e+04 rev/ 3.076e+14 -0.25 4.755e+04 / c6h112-4+ho2<=>c6h11o2-4 + oh 9.640e+12 0.00 0.000e+00 rev/ 9.704e+15 -1.13 1.579e+04 / c6h112-4+ch3o2<=>c6h11o2-4+ch3o 9.640e+12 0.00 0.000e+00 rev/ 9.478e+17 -1.71 2.056e+04 / c6h112-4+c2h5o2<=>c6h11o2-4+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 6.204e+14 -0.78 1.840e+04 / c6h11o1-3<=>c2h3cho+nc3h7 1.427e+20 -2.04 1.123e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-3<=>nc3h7cho+c2h3 2.400e+18 -1.63 2.341e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o2-4<=>sc3h5cho+c2h5 5.449e+19 -1.92 1.076e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o2-4<=>c2h5cho+c3h5-s 2.346e+22 -2.58 2.931e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h13o2-1<=>c6h13-1 + o2 5.150e+20 -1.71 3.579e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h13o2-2<=>c6h13-2 + o2 2.180e+23 -2.33 3.804e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h13o2-3<=>c6h13-3 + o2 2.180e+23 -2.33 3.804e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h13-1+c6h13o2-1<=>c6h13o-1+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.781e+13 -0.21 2.984e+04 / c6h13-1+c6h13o2-2<=>c6h13o-1+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.628e+13 -0.17 2.950e+04 / c6h13-1+c6h13o2-3<=>c6h13o-1+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.628e+13 -0.17 2.950e+04 / c6h13-2+c6h13o2-1<=>c6h13o-2+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.205e+15 -0.79 3.176e+04 / c6h13-2+c6h13o2-2<=>c6h13o-2+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-2+c6h13o2-3<=>c6h13o-2+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-3+c6h13o2-1<=>c6h13o-3+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.205e+15 -0.79 3.176e+04 / c6h13-3+c6h13o2-2<=>c6h13o-3+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-3+c6h13o2-3<=>c6h13o-3+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13o2-1<=>c6h12-1+ho2 5.044e+38 -8.11 4.049e+04 rev/ 9.638e+29 -6.22 2.047e+04 / c6h13o2-2<=>c6h12-1+ho2 5.075e+42 -9.41 4.149e+04 rev/ 5.885e+32 -7.24 1.670e+04 / c6h13o2-2<=>c6h12-2+ho2 5.044e+38 -8.11 4.049e+04 rev/ 2.876e+28 -5.77 1.857e+04 / c6h13o2-3<=>c6h12-3+ho2 1.009e+39 -8.11 4.049e+04 rev/ 1.569e+29 -5.83 1.848e+04 / c6h13o2-1<=>c6h12ooh1-2 2.000e+11 0.00 2.685e+04 rev/ 2.402e+10 -0.12 1.386e+04 / c6h13o2-1<=>c6h12ooh1-3 2.500e+10 0.00 2.085e+04 rev/ 3.003e+09 -0.12 7.860e+03 / c6h13o2-1<=>c6h12ooh1-4 3.125e+09 0.00 1.865E+04 rev/ 3.754e+08 -0.12 6.060e+03 / c6h13o2-1<=>c6h12ooh1-5 3.906e+08 0.00 2.205e+04 rev/ 4.692e+07 -0.12 9.060e+03 / c6h13o2-2<=>c6h12ooh2-1 3.000e+11 0.00 2.940e+04 rev/ 7.948e+11 -0.52 1.395e+04 / c6h13o2-2<=>c6h12ooh2-3 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-2<=>c6h12ooh2-4 2.500e+10 0.00 2.085e+04 rev/ 3.223e+09 -0.13 7.880e+03 / c6h13o2-2<=>c6h12ooh2-5 3.125e+09 0.00 1.865E+04 rev/ 4.028e+08 -0.13 6.080e+03 / c6h13o2-2<=>c6h12ooh2-6 5.860e+08 0.00 2.515E+04 rev/ 1.553e+09 -0.52 1.010e+04 / c6h13o2-3<=>c6h12ooh3-1 3.750e+10 0.00 2.400E+04 rev/ 9.935e+10 -0.52 8.950e+03 / c6h13o2-3<=>c6h12ooh3-2 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-3<=>c6h12ooh3-4 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-3<=>c6h12ooh3-5 2.500e+10 0.00 2.085e+04 rev/ 3.223e+09 -0.13 7.880e+03 / c6h13o2-3<=>c6h12ooh3-6 4.688e+09 0.00 2.195E+04 rev/ 1.242e+10 -0.52 6.900e+03 / c6h13o2-1+ho2<=>c6h13o2h-1 + o2 1.750e+10 0.00 -3.275e+03 rev/ 3.538e+13 -0.78 3.360e+04 / c6h13o2-2+ho2<=>c6h13o2h-2 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.447e+13 -0.81 3.364e+04 / c6h13o2-3+ho2<=>c6h13o2h-3 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.447e+13 -0.81 3.364e+04 / c6h13o2-1+h2o2<=>c6h13o2h-1+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-2+h2o2<=>c6h13o2h-2+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-3+h2o2<=>c6h13o2h-3+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-1+ch3o2<=>c6h13o-1+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+ch3o2<=>c6h13o-2+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-3+ch3o2<=>c6h13o-3+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-1<=>o2+c6h13o-1+c6h13o-1 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-2<=>o2+c6h13o-1+c6h13o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-3<=>o2+c6h13o-1+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+c6h13o2-2<=>o2+c6h13o-2+c6h13o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+c6h13o2-3<=>o2+c6h13o-2+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-3+c6h13o2-3<=>o2+c6h13o-3+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2h-1<=>c6h13o-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 2.025e+07 1.93 -6.512e+03 / c6h13o2h-2<=>c6h13o-2 + oh 1.000e+16 0.00 3.900e+04 rev/ 5.977e+06 2.00 -6.892e+03 / c6h13o2h-3<=>c6h13o-3 + oh 1.000e+16 0.00 3.900e+04 rev/ 5.977e+06 2.00 -6.892e+03 / c6h13o-1<=>c5h11-1+ch2o 5.226e+20 -2.08 2.483e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h13o-2<=>pc4h9+ch3cho 2.365e+22 -2.61 1.962e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h13o-3<=>c2h5cho+nc3h7 8.045e+17 -1.17 1.817e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h12ooh1-2<=>c6h12o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-3<=>c6h12o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-4<=>c6h12o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-5<=>c6h12o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-1<=>c6h12o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-3<=>c6h12o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-4<=>c6h12o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-5<=>c6h12o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-6<=>c6h12o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-2<=>c6h12o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-4<=>c6h12o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-1<=>c6h12o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-5<=>c6h12o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-6<=>c6h12o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / !c6h12ooh1-2<=>c6h12-1+ho2 1.018e+19 -2.02 1.972e+04 !!!moved down !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh2-1<=>c6h12-1+ho2 3.701e+21 -2.69 2.203e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh2-3<=>c6h12-2+ho2 3.663e+20 -2.48 2.164e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh3-2<=>c6h12-2+ho2 3.663e+20 -2.48 2.164e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh3-4<=>c6h12-3+ho2 2.682e+20 -2.41 2.173e+04 !rev/ 3.236e+11 0.00 1.269e+04 / c6h12ooh1-3<=>oh+ch2o+c5h10-1 7.703e+13 -0.16 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-4<=>oh+ch3cho+c4h8-1 2.933e+18 -1.70 2.408e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-5<=>oh+c2h5cho+c3h6 1.171e+17 -1.31 2.888e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-1<=>oh+ch3cho+c2h4+c2h4 7.326e+18 -1.74 2.742e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-2o2<=>c6h12ooh1-2 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-3o2<=>c6h12ooh1-3 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-4o2<=>c6h12ooh1-4 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-5o2<=>c6h12ooh1-5 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-1o2<=>c6h12ooh2-1 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh2-3o2<=>c6h12ooh2-3 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-4o2<=>c6h12ooh2-4 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-5o2<=>c6h12ooh2-5 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-6o2<=>c6h12ooh2-6 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh3-1o2<=>c6h12ooh3-1 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh3-2o2<=>c6h12ooh3-2 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-4o2<=>c6h12ooh3-4 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-5o2<=>c6h12ooh3-5 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-6o2<=>c6h12ooh3-6 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh1-2o2<=>nc6ket12 + oh 2.000e+11 0.00 2.600E+04 rev/ 2.607e-12 6.14 3.970e+04 / c6h12ooh1-3o2<=>nc6ket13 + oh 2.500e+10 0.00 2.100E+04 rev/ 8.825e+02 1.56 4.471e+04 / c6h12ooh1-4o2<=>nc6ket14 + oh 3.125e+09 0.00 1.895E+04 rev/ 1.103e+02 1.56 4.266e+04 / c6h12ooh1-5o2<=>nc6ket15 + oh 3.906e+08 0.00 2.215E+04 rev/ 1.379e+01 1.56 4.586e+04 / c6h12ooh2-1o2<=>nc6ket21 + oh 1.000e+11 0.00 2.345E+04 rev/ 2.253e+02 1.91 5.003e+04 / c6h12ooh2-3o2<=>nc6ket23 + oh 1.000e+11 0.00 2.345E+04 rev/ 1.156e+03 1.79 4.909e+04 / c6h12ooh2-4o2<=>nc6ket24 + oh 1.250e+10 0.00 1.745E+04 rev/ 4.618e+01 1.97 4.388e+04 / c6h12ooh2-5o2<=>nc6ket25 + oh 1.563e+09 0.00 1.565E+04 rev/ 5.774e+00 1.97 4.208e+04 / c6h12ooh2-6o2<=>nc6ket26 + oh 3.906e+08 0.00 2.215E+04 rev/ 1.939e+00 1.92 4.859e+04 / c6h12ooh3-1o2<=>nc6ket31 + oh 1.250e+10 0.00 1.745E+04 rev/ 5.308e+01 1.91 4.419e+04 / c6h12ooh3-2o2<=>nc6ket32 + oh 1.000e+11 0.00 2.345E+04 rev/ 7.384e+02 1.82 4.935e+04 / c6h12ooh3-4o2<=>nc6ket34 + oh 1.000e+11 0.00 2.345E+04 rev/ 7.384e+02 1.82 4.935e+04 / c6h12ooh3-5o2<=>nc6ket35 + oh 1.250e+10 0.00 1.745E+04 rev/ 3.503e+01 1.98 4.416e+04 / c6h12ooh3-6o2<=>nc6ket36 + oh 1.563e+09 0.00 1.565E+04 rev/ 6.638e+00 1.91 4.239e+04 / nc6ket12<=>nc4h9cho+hco + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket13<=>nc3h7cho+ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket14<=>c2h5cho+ch2ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket15<=>ch3cho+c3h6cho-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket21<=>ch2o+nc4h9co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket23<=>nc3h7cho+ch3co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket24<=>c2h5cho+ch3coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket25<=>ch3cho+ch2ch2coch3 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket26<=>ch2o+c3h6coch3-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket31<=>ch2o+nc3h7coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket32<=>ch3cho+nc3h7co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket34<=>c2h5cho+c2h5co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket35<=>ch3cho+c2h5coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket36<=>ch2o+c2h5coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2 + oh<=>c2h3cho+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3 + oh<=>c5h10-1+hco+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4 + oh<=>c4h8-1+ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5 + oh<=>c3h6+ch2ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3 + oh<=>c2h3coch3+c2h5+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4 + oh<=>c4h8-1+ch3co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5 + oh<=>c3h6+ch3coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4 + oh<=>c2h5coc2h3+ch3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2 + oh<=>ch2co+pc4h9+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3 + oh<=>c2h4+nc3h7co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4 + oh<=>c2h4+c2h5coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5 + oh<=>c2h4+ch2ch2coch3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3 + oh<=>ch3chco+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4 + oh<=>c3h6+c2h5co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5 + oh<=>ch3cho+c4h71-3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4 + oh<=>c2h5cho+c3h5-s+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2+ho2<=>c2h3cho+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3+ho2<=>c5h10-1+hco+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4+ho2<=>c4h8-1+ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5+ho2<=>c3h6+ch2ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3+ho2<=>c2h3coch3+c2h5+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4+ho2<=>c4h8-1+ch3co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5+ho2<=>c3h6+ch3coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4+ho2<=>c2h5coc2h3+ch3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2+ho2<=>ch2co+pc4h9+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3+ho2<=>c2h4+nc3h7co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4+ho2<=>c2h4+c2h5coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5+ho2<=>c2h4+ch2ch2coch3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3+ho2<=>ch3chco+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4+ho2<=>c3h6+c2h5co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5+ho2<=>ch3cho+c4h71-3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4+ho2<=>c2h5cho+c3h5-s+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / ! ! ! ! ! !c6h12-1 + oh<=>c6h12oh-1 1.000e+12 0.00 -1.042e+03 !o2c6h12oh-1<=>c6h12oh-1 + o2 1.822e+21 -1.92 3.776e+04 !rev/ 2.000e+12 0.00 0.000e+00 / !o2c6h12oh-1<=>nc4h9cho+ch2o + oh 2.500e+10 0.00 1.886e+04 !rev/ 0.000e+00 0.00 0.000e+00 / ! c6h12-1 + oh<=>c6h12oh-1 1.000e+13 0.00 0.0000+03 !!!!!!!!!!!!!!!!waddington c6h12oh-1 + o2<=>o2c6h12oh-1 .600e+13 .000 .0 !!!puo' essere in posiz. 1 o 2 !!!o2c6h12oh-1<=>nc4h9cho+ch2o + oh 2.500e+10 0.00 1.886e+04 o2c6h12oh-1<=>nc4h9cho+ch2o + oh 1.00e+12 0.00 2.780e+04 ! ! ! c6h12oh-2<=>c6h12-2 + oh 1.065e+16 -1.00 2.933e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c6h12oh-2<=>c6h12oh-2 + o2 3.816e+21 -2.02 3.783e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c6h12oh-2<=>nc3h7cho+ch3cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12oh-3<=>c6h12-3 + oh 3.903e+15 -0.93 2.942e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c6h12oh-3<=>c6h12oh-3 + o2 3.816e+21 -2.02 3.783e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c6h12oh-3<=>oh+c2h5cho+c2h5cho 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc4h9cho + o2<=>nc4h9co+ho2 2.000e+13 0.50 4.220e+04 rev/ 1.000e+07 0.00 4.000e+04 / nc4h9cho + oh<=>nc4h9co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 2.143e+10 0.73 3.124e+04 / nc4h9cho+h<=>nc4h9co+h2 4.000e+13 0.00 4.200e+03 rev/ 1.800e+13 0.00 2.400e+04 / nc4h9cho+o<=>nc4h9co + oh 5.000e+12 0.00 1.790e+03 rev/ 1.000e+12 0.00 1.900e+04 / nc4h9cho+ho2<=>nc4h9co+h2o2 2.800e+12 0.00 1.360e+04 rev/ 1.000e+12 0.00 1.000e+04 / nc4h9cho+ch3<=>nc4h9co+ch4 1.700e+12 0.00 8.440e+03 rev/ 1.500e+13 0.00 2.800e+04 / nc4h9cho+ch3o<=>nc4h9co+ch3oh 1.150e+11 0.00 1.280e+03 rev/ 3.000e+11 0.00 1.800e+04 / nc4h9cho+ch3o2<=>nc4h9co+ch3o2h 1.000e+12 0.00 9.500e+03 rev/ 2.500e+10 0.00 1.000e+04 / nc4h9cho + oh<=>c4h8cho-1+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.233e+09 0.95 2.104e+04 / nc4h9cho + oh<=>c4h8cho-2+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho + oh<=>c4h8cho-3+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho + oh<=>c4h8cho-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.202e+09 1.34 2.887e+04 / nc4h9co<=>pc4h9+co 1.000e+11 0.00 9.600e+03 rev/ 1.000e+11 0.00 0.000e+00 / c4h8cho-1<=>c2h4+ch2ch2cho 5.984e+18 -1.60 3.043e+04 rev/ 2.500e+11 0.00 7.800e+03 / c4h8cho-2<=>c3h6+ch2cho 2.984e+14 -0.76 2.332e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-3<=>c4h8-1+hco 4.797e+14 -0.72 2.435e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-3<=>ac3h5cho+ch3 3.643e+13 -0.36 3.033e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-4<=>c2h3cho+c2h5 1.863e+18 -1.30 3.083e+04 rev/ 1.000e+11 0.00 7.800e+03 / ac3h5cho<=>c3h5-a+hco 1.813e+19 -1.08 6.848e+04 rev/ 1.000e+13 0.00 0.000e+00 / ac3h5cho + oh<=>ac3h5co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 1.741e+10 0.76 3.120e+04 / ac3h5cho + oh<=>c2h3chcho+h2o 3.120e+06 2.00 -2.980e+02 rev/ 1.246e+08 1.79 3.493e+04 / ac3h5cho+ho2<=>ac3h5co+h2o2 3.000e+12 0.00 1.192e+04 rev/ 1.152e+13 -0.33 1.199e+04 / ac3h5cho+ho2<=>c2h3chcho+h2o2 9.630e+03 2.60 1.391e+04 rev/ 2.283e+06 2.06 1.767e+04 / ac3h5cho+ch3o2<=>ac3h5co+ch3o2h 1.000e+12 0.00 1.192e+04 rev/ 1.579e+13 -0.51 1.127e+04 / ac3h5cho+ch3o2<=>c2h3chcho+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.939e+15 -0.72 2.009e+04 / ac3h5co<=>c3h5-a+co 6.199e+15 -1.09 -3.300e+02 rev/ 1.500e+11 0.00 4.810e+03 / c2h3chcho+ho2=>c2h3cho+hco + oh 8.910e+12 0.00 0.000e+00 ! wjp: reverse rate above collisonal. make reaction one way. reaction occurs in 2 steps nc3h7coch3 + oh<=>c3h6coch3-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 3.604e+06 1.75 2.017e+04 / nc3h7coch3 + oh<=>c3h6coch3-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.668e+05 2.01 2.166e+04 / nc3h7coch3 + oh<=>c3h6coch3-3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 2.368e+13 -0.28 2.870e+04 / nc3h7coch3 + oh<=>nc3h7coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 9.286e+13 -0.74 2.773e+04 / nc3h7coch3+ho2<=>c3h6coch3-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.465e+04 2.24 4.442e+03 / nc3h7coch3+ho2<=>c3h6coch3-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 3.373e+11 0.05 8.142e+03 / nc3h7coch3+ho2<=>c3h6coch3-3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 3.327e+13 -0.60 6.160e+03 / nc3h7coch3+ho2<=>nc3h7coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 2.572e+07 1.48 9.762e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.281e+13 -0.49 6.607e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.926e+11 -0.13 6.774e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.367e+15 -0.78 1.199e+04 / nc3h7coch3+ch3o2<=>nc3h7coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 1.337e+16 -1.25 1.193e+04 / c3h6coch3-1<=>c2h4+ch3coch2 2.904e+16 -1.21 2.700e+04 rev/ 1.000e+11 0.00 8.600e+03 / c3h6coch3-2<=>c3h6+ch3co 2.719e+16 -1.05 2.559e+04 rev/ 1.000e+11 0.00 7.800e+03 / c3h6coch3-3<=>c2h3coch3+ch3 9.615e+15 -0.75 3.239e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc3h7coch2<=>nc3h7+ch2co 1.226e+18 -1.40 4.345e+04 rev/ 1.000e+11 0.00 1.160e+04 / c2h5coc2h5 + oh<=>c2h5coc2h4p+h2o 1.054e+10 0.97 1.586e+03 rev/ 1.194e+09 0.95 2.103e+04 / c2h5coc2h5 + oh<=>c2h5coc2h4s+h2o 1.690e+12 0.00 -2.280e+02 rev/ 3.296e+13 -0.32 2.874e+04 / c2h5coc2h5+ho2<=>c2h5coc2h4p+h2o2 4.760e+04 2.55 1.649e+04 rev/ 3.201e+04 2.20 4.472e+03 / c2h5coc2h5+ho2<=>c2h5coc2h4s+h2o2 4.000e+11 0.00 8.698e+03 rev/ 4.631e+13 -0.65 6.200e+03 / c2h5coc2h5 + o2<=>c2h5coc2h4p+ho2 4.100e+13 0.00 5.131e+04 rev/ 1.949e+10 0.31 -1.882e+03 / c2h5coc2h5 + o2<=>c2h5coc2h4s+ho2 3.100e+13 0.00 4.197e+04 rev/ 2.537e+12 0.00 -1.702e+03 / c2h5coc2h5+h<=>c2h5coc2h4p+h2 1.832e+07 2.00 7.700e+03 rev/ 4.794e+05 1.98 1.199e+04 / c2h5coc2h5+h<=>c2h5coc2h4s+h2 8.960e+06 2.00 3.200e+03 rev/ 4.036e+07 1.68 1.701e+04 / c2h5coc2h5+c2h3<=>c2h5coc2h4p+c2h4 1.000e+12 0.00 1.040e+04 rev/ 3.850e+08 0.81 1.404e+04 / c2h5coc2h5+c2h3<=>c2h5coc2h4s+c2h4 6.000e+11 0.00 5.600e+03 rev/ 3.976e+10 0.50 1.876e+04 / c2h5coc2h5+c2h5<=>c2h5coc2h4p+c2h6 1.000e+11 0.00 1.340e+04 rev/ 1.070e+13 -0.58 1.400e+04 / c2h5coc2h5+c2h5<=>c2h5coc2h4s+c2h6 6.000e+10 0.00 8.600e+03 rev/ 1.105e+15 -0.89 1.872e+04 / c2h5coc2h5+ch3o<=>c2h5coc2h4p+ch3oh 4.340e+11 0.00 6.460e+03 rev/ 5.475e+09 0.00 9.020e+03 / c2h5coc2h5+ch3o<=>c2h5coc2h4s+ch3oh 2.900e+11 0.00 2.771e+03 rev/ 6.298e+11 -0.30 1.485e+04 / c2h5coc2h5+ch3o2<=>c2h5coc2h4p+ch3o2h 6.020e+12 0.00 1.938e+04 rev/ 1.664e+13 -0.52 6.642e+03 / c2h5coc2h5+ch3o2<=>c2h5coc2h4s+ch3o2h 4.000e+12 0.00 1.525e+04 rev/ 1.903e+15 -0.83 1.203e+04 / c2h5coc2h4p<=>c2h5co+c2h4 1.769e+17 -1.46 2.954e+04 rev/ 8.000e+10 0.00 1.130e+04 / c2h5coc2h4s<=>c2h5coc2h3+h 8.704e+16 -0.82 4.213e+04 rev/ 1.300e+13 0.00 1.560e+03 / c2h5coc2h3 + oh<=>c2h5coch2+ch2o 1.000e+10 0.00 0.000e+00 rev/ 1.673e+11 -0.39 1.822e+04 / c2h5coc2h3 + oh<=>pc2h4coc2h3+h2o 7.550e+09 0.97 1.586e+03 rev/ 1.285e+08 2.53 2.021e+04 / c2h5coc2h3 + oh<=>sc2h4coc2h3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 1.350e+13 -0.20 2.860e+04 / c2h5coc2h3+ho2<=>c2h5co+ch2cho + oh 6.030e+09 0.00 7.949e+03 rev/ 1.000e+00 0.00 0.000e+00 / c2h5coc2h3+ho2<=>pc2h4coc2h3+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.405e+03 3.78 3.652e+03 / c2h5coc2h3+ho2<=>sc2h4coc2h3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 1.896e+13 -0.53 6.065e+03 / c2h5coc2h3+ch3o2<=>c2h5co+ch2cho+ch3o 3.970e+11 0.00 1.705e+04 rev/ 1.000e+00 0.00 0.000e+00 / c2h5coc2h3+ch3o2<=>pc2h4coc2h3+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.250e+12 1.06 5.822e+03 / c2h5coc2h3+ch3o2<=>sc2h4coc2h3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 7.793e+14 -0.71 1.190e+04 / pc2h4coc2h3<=>c2h3co+c2h4 5.263e+14 0.38 2.146e+04 rev/ 8.000e+10 0.00 1.130e+04 / sc2h4coc2h3<=>ch3chco+c2h3 1.637e+16 -0.74 5.459e+04 rev/ 8.000e+10 0.00 1.260e+04 / ! ! ! nc7h16<=>h+c7h15-1 2.680e+88 -21.17 1.428e+05 rev/ 7.264e+84 -20.81 4.156e+04 / nc7h16<=>h+c7h15-2 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-3 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-4 6.500e+87 -21.01 1.395e+05 rev/ 2.255e+83 -20.31 4.083e+04 / nc7h16(+m)<=>c6h13-1+ch3(+m) 4.325e+24 -2.12 8.990e+04 !rev/ 4.630e+14 -0.32 5.000e+00 / low / 4.9630e+42 -7.7800e+00 4.2800e+04 / troe / 8.9200e-01 1.0000e+10 2.2280e+00 1.7980e+09 / !troe fall-off reaction nc7h16(+m)<=>c5h11-1+c2h5(+m) 6.818e+26 -2.70 8.891e+04 !rev/ 3.260e+15 -0.68 0.000e+00 / low / 3.7530e+48 -9.4600e+00 4.1310e+04 / troe / 9.0000e-02 3.6556e+00 1.0000e+10 9.3300e+09 / !troe fall-off reaction nc7h16(+m)<=>pc4h9+nc3h7(+m) 1.362e+26 -2.53 8.876e+04 !rev/ 3.100e+14 -0.35 0.000e+00 / low / 6.5090e+48 -9.5700e+00 4.1290e+04 / troe / 9.1100e-01 1.0000e+10 2.2382e+01 5.0000e+09 / !troe fall-off reaction nc7h16+h<=>c7h15-1+h2 1.880e+05 2.75 6.280e+03 rev/ 2.037e+01 3.38 8.618e+03 / nc7h16+h<=>c7h15-2+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-3+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-4+h2 1.300e+06 2.40 4.471e+03 rev/ 1.800e+01 3.38 9.318e+03 / nc7h16+o<=>c7h15-1 + oh 1.930e+05 2.68 3.716e+03 rev/ 1.085e+01 3.29 4.642e+03 / nc7h16+o<=>c7h15-2 + oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-3 + oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-4 + oh 4.770e+04 2.71 2.106e+03 rev/ 3.468e-01 3.67 5.541e+03 / nc7h16 + oh<=>c7h15-1+h2o 1.056E+10 0.97 1.590E+03 rev/ 2.952e+04 2.33 1.818e+04 / nc7h16 + oh<=>c7h15-2+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16 + oh<=>c7h15-3+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16 + oh<=>c7h15-4+h2o 4.700E+07 1.61 -3.500E+01 rev/ 3.610e+02 2.87 1.914e+04 / ! !henry hct ! nc7h16+ho2<=>c7h15-1+h2o2 4.080e+01 3.59 1.716e+04 rev/ 2.557e+00 3.53 3.498e+03 / nc7h16+ho2<=>c7h15-2+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-3+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-4+h2o2 6.320e+01 3.37 1.372e+04 rev/ 4.952e-01 3.66 2.562e+03 / ! ! ! nc7h16+ch3<=>c7h15-1+ch4 9.040e-01 3.65 7.154e+03 rev/ 8.935e-02 3.84 1.103e+04 / nc7h16+ch3<=>c7h15-2+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-3+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-4+ch4 2.705e+04 2.26 7.287e+03 rev/ 3.419e+02 2.79 1.367e+04 / ! !!henry hct ! nc7h16 + o2<=>c7h15-1+ho2 4.200e+13 0.00 5.280e+04 rev/ 2.386e+10 0.28 4.530e+02 / nc7h16 + o2<=>c7h15-2+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16 + o2<=>c7h15-3+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16 + o2<=>c7h15-4+ho2 1.400e+13 0.00 5.015e+04 rev/ 9.941e+08 0.63 3.090e+02 / ! ! ! nc7h16+c2h5<=>c7h15-1+c2h6 1.000e+11 0.00 1.340e+04 rev/ 3.200e+11 0.00 1.230e+04 / nc7h16+c2h5<=>c7h15-2+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-3+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-4+c2h6 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+ch3o<=>c7h15-1+ch3oh 3.160e+11 0.00 7.000e+03 rev/ 1.200e+10 0.00 9.200e+03 / nc7h16+ch3o<=>c7h15-2+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-3+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-4+ch3oh 1.095e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+c2h3<=>c7h15-1+c2h4 1.000e+12 0.00 1.800e+04 rev/ 2.570e+12 0.00 2.540e+04 / nc7h16+c2h3<=>c7h15-2+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-3+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-4+c2h4 4.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / ! !!henry hct ! nc7h16+ch3o2<=>c7h15-1+ch3o2h 1.386e+00 3.97 1.828e+04 rev/ 1.690e+00 3.46 3.024e+03 / nc7h16+ch3o2<=>c7h15-2+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-3+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-4+ch3o2h 1.019e+01 3.58 1.481e+04 rev/ 1.553e+00 3.42 2.054e+03 / ! ! ! nc7h16 + o2cho<=>c7h15-1+ho2cho 1.680e+13 0.00 2.044e+04 rev/ 1.170e+03 2.25 3.057e+03 / nc7h16 + o2cho<=>c7h15-2+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16 + o2cho<=>c7h15-3+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16 + o2cho<=>c7h15-4+ho2cho 5.600e+12 0.00 1.769e+04 rev/ 2.472e+01 2.64 2.823e+03 / nc7h16+c7h15o2-1<=>c7h15-1+c7h15o2h-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-1+c7h15o2h-2 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-1+c7h15o2h-3 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-1+c7h15o2h-4 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-2+c7h15o2h-1 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-2+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-2+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-2+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-3+c7h15o2h-1 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-3+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-3+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-3+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-4+c7h15o2h-1 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-4+c7h15o2h-2 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-4+c7h15o2h-3 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-4+c7h15o2h-4 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15-1<=>c7h15-2+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-2<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-2<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-3<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / ! ! ! ! ! ! c7h15-1<=>c5h11-1+c2h4 1.227e+19 -1.91 3.140e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-1<=>c7h14-1+h 9.648e+13 -0.26 3.601e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-2<=>pc4h9+c3h6 9.764e+18 -1.79 3.136e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-2<=>c7h14-1+h 6.067e+12 0.09 3.681e+04 rev/ 1.000e+13 0.00 1.200e+03 / c7h15-2<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c4h8-1+nc3h7 6.165e+18 -1.71 3.096e+04 rev/ 1.000e+11 0.00 7.700e+03 / c7h15-3<=>c6h12-1+ch3 2.698e+17 -1.35 3.148e+04 rev/ 1.750e+11 0.00 7.200e+03 / c7h15-3<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c7h14-3+h 9.152e+12 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-4<=>c2h5+c5h10-1 1.143e+18 -1.34 3.143e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-4<=>c7h14-3+h 1.819e+13 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / ! ! ! ! c7h15-1 + o2<=>c7h14-1+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.517e-10 0.18 1.876e+04 / c7h15-2 + o2<=>c7h14-1+ho2 4.500e-09 0.00 5.020e+03 rev/ 1.532e-08 -0.16 1.827e+04 / c7h15-2 + o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3 + o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3 + o2<=>c7h14-3+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.769e-09 -0.05 1.903e+04 / c7h15-4 + o2<=>c7h14-3+ho2 6.000e-09 0.00 3.000e+03 rev/ 6.795e-09 -0.05 1.903e+04 / ! ! ! c7h15-1<=>c7h15-3 1.386e+09 0.98 3.376e+04 rev/ 8.716e+07 1.33 3.627e+04 / c7h15-1<=>c7h15-4 2.541e+09 0.35 1.976e+04 rev/ 3.176e+08 0.70 2.227e+04 / c7h15-2<=>c7h15-3 9.587e+08 1.39 3.970e+04 rev/ 9.587e+08 1.39 3.970e+04 / c7h15-1<=>c7h15-2 5.478e+08 1.62 3.876e+04 rev/ 3.445e+07 1.97 4.127e+04 / ! ! c7h14-1+h<=>c7h131-3+h2 3.376e+05 2.36 2.070e+02 rev/ 4.393e+06 2.10 2.062e+04 / c7h14-1+h<=>c7h131-4+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-7+h2 6.650e+05 2.54 6.756e+03 rev/ 3.056e+04 2.54 1.132e+04 / c7h14-1 + oh<=>c7h131-3+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.557e+06 2.38 3.365e+04 / c7h14-1 + oh<=>c7h131-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.049e+09 0.97 2.130e+04 / c7h14-1+ch3<=>c7h131-3+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.254e+03 3.05 2.489e+04 / c7h14-1+ch3<=>c7h131-4+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.427e-01 3.65 1.219e+04 / c7h14-1+ho2<=>c7h131-3+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.612e+06 1.96 1.463e+04 / c7h14-1+ho2<=>c7h131-4+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.811e+04 2.22 4.746e+03 / c7h14-1+ch3o2<=>c7h131-3+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.357e+06 1.79 1.161e+04 / c7h14-1+ch3o2<=>c7h131-4+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.853e+04 2.04 1.726e+03 / c7h14-1+ch3o<=>c7h131-3+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.510e+02 2.66 2.729e+04 / c7h14-1+ch3o<=>c7h131-4+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.808e+09 0.02 9.288e+03 / c7h14-2+h<=>c7h131-3+h2 1.730e+05 2.50 2.492e+03 rev/ 4.561e+06 2.06 2.003e+04 / c7h14-2+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 4.400e+06 2.10 2.059e+04 / c7h14-2+h<=>c7h132-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.843e+03 2.74 1.152e+04 / c7h14-2+h<=>c7h132-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.843e+03 2.74 1.152e+04 / c7h14-2+h<=>c7h132-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.149e+04 2.53 1.130e+04 / c7h14-2 + oh<=>c7h131-3+h2o 3.120e+06 2.00 -2.980e+02 rev/ 3.561e+08 1.56 3.240e+04 / c7h14-2 + oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.560e+06 2.38 3.362e+04 / c7h14-2 + oh<=>c7h132-5+h2o 4.670e+05 1.61 -3.500e+01 rev/ 5.978e+03 1.95 2.217e+04 / c7h14-2 + oh<=>c7h132-6+h2o 4.670e+05 1.61 -3.500e+01 rev/ 5.978e+03 1.95 2.217e+04 / c7h14-2 + oh<=>c7h132-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.080e+09 0.96 2.128e+04 / c7h14-2+ch3<=>c7h131-3+ch4 2.210e+00 3.50 5.675e+03 rev/ 1.522e+03 3.06 2.370e+04 / c7h14-2+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.256e+03 3.05 2.486e+04 / c7h14-2+ch3<=>c7h132-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.166e-01 3.80 1.301e+04 / c7h14-2+ch3<=>c7h132-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.166e-01 3.80 1.301e+04 / c7h14-2+ch3<=>c7h132-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.591e-01 3.64 1.217e+04 / c7h14-2+ho2<=>c7h131-3+h2o2 9.639e+03 2.60 1.391e+04 rev/ 6.531e+06 1.84 1.514e+04 / c7h14-2+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.615e+06 1.96 1.460e+04 / c7h14-2+ho2<=>c7h132-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.325e+02 2.62 4.652e+03 / c7h14-2+ho2<=>c7h132-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.325e+02 2.62 4.652e+03 / c7h14-2+ho2<=>c7h132-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.896e+04 2.21 4.726e+03 / c7h14-2+ch3o2<=>c7h131-3+ch3o2h 9.639e+03 2.60 1.391e+04 rev/ 1.360e+07 1.66 1.212e+04 / c7h14-2+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.362e+06 1.79 1.158e+04 / c7h14-2+ch3o2<=>c7h132-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.525e+03 2.44 1.632e+03 / c7h14-2+ch3o2<=>c7h132-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.525e+03 2.44 1.632e+03 / c7h14-2+ch3o2<=>c7h132-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 6.030e+04 2.04 1.706e+03 / c7h14-2+ch3o<=>c7h131-3+ch3oh 9.000e+01 2.95 1.199e+04 rev/ 1.144e+03 2.54 2.780e+04 / c7h14-2+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.513e+02 2.66 2.726e+04 / c7h14-2+ch3o<=>c7h132-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.067e+08 0.37 9.891e+03 / c7h14-2+ch3o<=>c7h132-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.067e+08 0.37 9.891e+03 / c7h14-2+ch3o<=>c7h132-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.953e+09 0.02 9.268e+03 / c7h14-3+h<=>c7h133-1+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 3.276e+06 2.16 2.068e+04 / c7h14-3+h<=>c7h133-5+h2 3.376e+05 2.36 2.070e+02 rev/ 4.380e+06 2.10 2.056e+04 / c7h14-3+h<=>c7h133-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.916e+03 2.74 1.149e+04 / c7h14-3+h<=>c7h133-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3 + oh<=>c7h133-1+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3 + oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.161e+06 2.44 3.371e+04 / c7h14-3 + oh<=>c7h133-5+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.552e+06 2.38 3.359e+04 / c7h14-3 + oh<=>c7h133-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.091e+05 1.95 2.214e+04 / c7h14-3 + oh<=>c7h133-7+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3+ch3<=>c7h133-1+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 9.355e+02 3.11 2.495e+04 / c7h14-3+ch3<=>c7h133-5+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.251e+03 3.05 2.483e+04 / c7h14-3+ch3<=>c7h133-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.188e-01 3.80 1.298e+04 / c7h14-3+ch3<=>c7h133-7+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ho2<=>c7h133-1+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.202e+06 2.03 1.469e+04 / c7h14-3+ho2<=>c7h133-5+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.607e+06 1.96 1.457e+04 / c7h14-3+ho2<=>c7h133-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.464e+02 2.61 4.622e+03 / c7h14-3+ho2<=>c7h133-7+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ch3o2<=>c7h133-1+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 2.503e+06 1.85 1.167e+04 / c7h14-3+ch3o2<=>c7h133-5+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.346e+06 1.79 1.155e+04 / c7h14-3+ch3o2<=>c7h133-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.554e+03 2.44 1.602e+03 / c7h14-3+ch3o2<=>c7h133-7+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o<=>c7h133-1+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h14-3+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 1.871e+02 2.73 2.735e+04 / c7h14-3+ch3o<=>c7h133-5+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.502e+02 2.66 2.723e+04 / c7h14-3+ch3o<=>c7h133-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.106e+08 0.37 9.861e+03 / c7h14-3+ch3o<=>c7h133-7+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h131-3+ho2<=>c7h13o1-3 + oh 9.640e+12 0.00 0.000e+00 c7h131-3+ch3o2<=>c7h13o1-3+ch3o 9.640e+12 0.00 0.000e+00 c7h131-3+c2h5o2<=>c7h13o1-3+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.836e+14 -0.68 1.800e+04 / c7h131-3<=>c4h6+nc3h7 1.105e+19 -1.53 4.070e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h10-1+c2h3 2.492e+12 0.03 3.730e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h81-3+c2h5 2.289e+14 -0.68 2.205e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-5<=>c4h8-1+c3h5-a 6.177e+15 -1.18 1.798e+04 rev/ 5.000e+10 0.00 8.300e+03 / c7h131-6<=>c3h6+c4h71-4 1.238e+17 -1.17 3.074e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h131-7<=>c2h4+c5h91-5 9.416e+17 -1.56 3.118e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-4+ho2<=>c7h13o2-4 + oh 9.640e+12 0.00 0.000e+00 rev/ 4.273e+15 -1.02 1.543e+04 / c7h132-4+ch3o2<=>c7h13o2-4+ch3o 9.640e+12 0.00 0.000e+00 rev/ 4.173e+17 -1.59 2.019e+04 / c7h132-4+c2h5o2<=>c7h13o2-4+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.732e+14 -0.67 1.803e+04 / c7h132-5<=>c4h8-1+c3h5-s 9.419e+17 -1.49 4.426e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-6<=>c3h6+c4h71-3 2.189e+14 -0.74 1.774e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-7<=>c2h4+c5h92-5 9.786e+17 -1.57 3.116e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-1<=>c2h4+c5h91-1 1.007e+17 -1.32 4.399e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-5+ho2<=>c7h13o3-5 + oh 9.640e+12 0.00 0.000e+00 rev/ 1.182e+15 -0.84 1.527e+04 / c7h133-5+ch3o2<=>c7h13o3-5+ch3o 9.640e+12 0.00 0.000e+00 rev/ 1.155e+17 -1.42 2.003e+04 / c7h133-5+c2h5o2<=>c7h13o3-5+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 7.559e+13 -0.50 1.787e+04 / c7h133-6<=>c3h6+c4h71-1 1.354e+16 -0.92 4.356e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-7<=>c2h4+c5h91-3 2.274e+15 -1.20 1.805e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h13o1-3<=>c2h3cho+pc4h9 9.625e+19 -1.96 1.085e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o1-3<=>nc4h9cho+c2h3 1.026e+18 -1.51 2.330e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>sc3h5cho+nc3h7 6.319e+19 -1.93 1.113e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>nc3h7cho+c3h5-s 1.012e+22 -2.46 2.919e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c4h7cho1-1+c2h5 6.033e+18 -1.62 1.045e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c2h5cho+c4h71-1 6.425e+21 -2.43 3.009e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h14-1 + oh<=>ch2o+c6h13-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1 + oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2 + oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2 + oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3 + oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1+o<=>ch2cho+c5h11-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1<=>pc4h9+c3h5-a 3.170e+21 -1.62 7.533e+04 rev/ 1.000e+13 0.00 0.000e+00 / ! !henry hct ! c7h14-2<=>c4h71-3+nc3h7 3.735e+21 -1.74 7.571e+04 rev/ 1.000e+13 0.00 0.000e+00 / ! ! ! c7h14-3<=>c5h91-3+c2h5 5.947e+21 -1.85 7.579e+04 rev/ 1.000e+13 0.00 0.000e+00 / c7h15o2-1<=>c7h15-1 + o2 2.657e+20 -1.67 3.540e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h15o2-2<=>c7h15-2 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-3<=>c7h15-3 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-4<=>c7h15-4 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / ! ! c7h15-1+c7h15o2-1<=>c7h15o-1+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 1.116e+14 -0.23 3.025e+04 / c7h15-1+c7h15o2-2<=>c7h15o-1+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-3<=>c7h15o-1+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-4<=>c7h15o-1+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / ! ! c7h15-2+c7h15o2-1<=>c7h15o-2+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-2+c7h15o2-2<=>c7h15o-2+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-3<=>c7h15o-2+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-4<=>c7h15o-2+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-1<=>c7h15o-3+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-3+c7h15o2-2<=>c7h15o-3+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-3<=>c7h15o-3+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-4<=>c7h15o-3+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-1<=>c7h15o-4+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-4+c7h15o2-2<=>c7h15o-4+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-3<=>c7h15o-4+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-4<=>c7h15o-4+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.511e+15 -0.73 3.179e+04 / ! ! ! c7h15-1+ho2<=>c7h15o-1 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.549e+15 -0.57 2.616e+04 / c7h15-2+ho2<=>c7h15o-2 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-3+ho2<=>c7h15o-3 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-4+ho2<=>c7h15o-4 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / ! c7h15-1+ch3o2<=>c7h15o-1+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 2.220e+14 -0.28 3.040e+04 / c7h15-2+ch3o2<=>c7h15o-2+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-3+ch3o2<=>c7h15o-3+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-4+ch3o2<=>c7h15o-4+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / ! ! c7h15o2-1<=>c7h14-1+ho2 4.308e+36 -7.50 3.951e+04 !rev/ 9.291e+29 -6.22 2.086e+04 / c7h15o2-2<=>c7h14-1+ho2 5.920e+42 -9.43 4.153e+04 !rev/ 9.596e+32 -7.21 1.707e+04 / c7h15o2-2<=>c7h14-2+ho2 4.308e+36 -7.50 3.951e+04 !rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-2+ho2 4.308e+36 -7.50 3.951e+04 !rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-3+ho2 4.308e+36 -7.50 3.951e+04 !rev/ 6.323e+28 -5.80 1.885e+04 / c7h15o2-4<=>c7h14-3+ho2 2.009e+39 -8.11 4.249e+04 !rev/ 6.348e+28 -5.80 1.885e+04 / ! ! ! ! ! ! c7h15o2-1<=>c7h14ooh1-2 2.000e+11 0.00 2.645e+04 !rev/ 2.123e+10 -0.11 1.424e+04 / c7h15o2-1<=>c7h14ooh1-3 2.500e+10 0.00 2.045e+04 !rev/ 2.653e+09 -0.11 8.240e+03 / c7h15o2-1<=>c7h14ooh1-4 3.125e+09 0.00 1.865e+04 !rev/ 3.317e+08 -0.11 6.440e+03 / c7h15o2-1<=>c7h14ooh1-5 3.906e+08 0.00 2.165e+04 !rev/ 4.146e+07 -0.11 9.440e+03 / c7h15o2-2<=>c7h14ooh2-1 3.000e+11 0.00 2.900e+04 !rev/ 8.060e+11 -0.52 1.436e+04 / c7h15o2-2<=>c7h14ooh2-3 2.000e+11 0.00 2.645e+04 !1rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-2<=>c7h14ooh2-4 2.500e+10 0.00 2.045e+04 !rev/ 2.827e+09 -0.11 8.270e+03 / c7h15o2-2<=>c7h14ooh2-5 3.125e+09 0.00 1.865e+04 !rev/ 3.534e+08 -0.11 6.470e+03 / c7h15o2-2<=>c7h14ooh2-6 3.906e+08 0.00 2.165e+04 !rev/ 4.417e+07 -0.11 9.470e+03 / c7h15o2-3<=>c7h14ooh3-1 3.750e+10 0.00 2.400e+04 !rev/ 1.008e+11 -0.52 9.360e+03 / c7h15o2-3<=>c7h14ooh3-2 2.000e+11 0.00 2.645e+04 !rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-3<=>c7h14ooh3-4 2.000e+11 0.00 2.645e+04 !rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-3<=>c7h14ooh3-5 2.500e+10 0.00 2.045e+04 !rev/ 2.827e+09 -0.11 8.270e+03 / c7h15o2-3<=>c7h14ooh3-6 3.125e+09 0.00 1.865e+04 !rev/ 3.534e+08 -0.11 6.470e+03 / c7h15o2-3<=>c7h14ooh3-7 5.860e+08 0.00 2.515e+04 !rev/ 1.574e+09 -0.52 1.051e+04 / c7h15o2-4<=>c7h14ooh4-1 9.376e+09 0.00 2.195e+04 !rev/ 2.518e+10 -0.52 7.310e+03 / c7h15o2-4<=>c7h14ooh4-2 5.000e+10 0.00 2.045e+04 !rev/ 5.655e+09 -0.11 8.270e+03 / c7h15o2-4<=>c7h14ooh4-3 4.000e+11 0.00 2.645e+04 !rev/ 4.524e+10 -0.11 1.427e+04 / ! ! ! ! ! c7h15o2-1+ho2<=>c7h15o2h-1 + o2 1.750e+10 0.00 -3.275e+03 rev/ 3.782e+13 -0.79 3.401e+04 / c7h15o2-2+ho2<=>c7h15o2h-2 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-3+ho2<=>c7h15o2h-3 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-4+ho2<=>c7h15o2h-4 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.497e+13 -0.82 3.404e+04 / h2o2+c7h15o2-1<=>ho2+c7h15o2h-1 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-2<=>ho2+c7h15o2h-2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-3<=>ho2+c7h15o2h-3 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-4<=>ho2+c7h15o2h-4 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c7h15o2-1+ch3o2<=>c7h15o-1+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+ch3o2<=>c7h15o-2+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+ch3o2<=>c7h15o-3+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+ch3o2<=>c7h15o-4+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-1<=>o2+c7h15o-1+c7h15o-1 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-2<=>c7h15o-1+c7h15o-2 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-3<=>c7h15o-1+c7h15o-3 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-4<=>c7h15o-1+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-2<=>o2+c7h15o-2+c7h15o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-3<=>c7h15o-2+c7h15o-3 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-4<=>c7h15o-2+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-3<=>o2+c7h15o-3+c7h15o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-4<=>c7h15o-3+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+c7h15o2-4<=>o2+c7h15o-4+c7h15o-4 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2h-1<=>c7h15o-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 1.989e+07 1.93 -6.522e+03 / c7h15o2h-2<=>c7h15o-2 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-3<=>c7h15o-3 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-4<=>c7h15o-4 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.516e+06 2.03 -6.922e+03 / ! !hct henry ! c7h15o-1<=>ch2o+c6h13-1 6.023e+20 -2.18 2.483e+04 rev/ 1.000e+11 0.00 1.190e+04 / c7h15o-2<=>ch3cho+c5h11-1 1.475e+22 -2.55 2.037e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-3<=>c2h5cho+pc4h9 6.573e+17 -1.16 1.937e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-4<=>nc3h7cho+nc3h7 4.769e+22 -2.58 2.182e+04 rev/ 1.000e+11 0.00 1.290e+04 / ! ! ! c7h14-1+ho2=c7h14ooh1-2 2.50e+03 2.500 1.12e+04 !!!!!bozzelli mm c7h14-1+ho2=c7h14ooh2-1 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh2-3 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh3-2 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh3-4 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh4-3 2.70e+03 2.500 1.05e+04 ! ! ! ! !c7h14ooh1-2<=>c7h14-1+ho2 5.762e+18 -2.00 1.802e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh2-1<=>c7h14-1+ho2 1.421e+21 -2.72 2.038e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh2-3<=>c7h14-2+ho2 1.212e+20 -2.48 2.072e+04 !rev/ 1.000e+11 0.00 1.175e+04 / !c7h14ooh3-2<=>c7h14-2+ho2 1.212e+20 -2.48 2.072e+04 !rev/ 1.000e+11 0.00 1.175e+04 / !c7h14ooh3-4<=>c7h14-3+ho2 9.021e+19 -2.42 2.006e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh4-3<=>c7h14-3+ho2 1.798e+20 -2.42 2.006e+04 !rev/ 1.000e+11 0.00 1.100e+04 / ! ! ! ! ! ! c7h14ooh1-2<=>c7h14o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>c7h14o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-4<=>c7h14o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-5<=>c7h14o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-1<=>c7h14o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-3<=>c7h14o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>c7h14o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-5<=>c7h14o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-6<=>c7h14o2-6 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>c7h14o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-2<=>c7h14o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-4<=>c7h14o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>c7h14o3-5 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-6<=>c7h14o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-7<=>c7h14o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-1<=>c7h14o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>c7h14o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-3<=>c7h14o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / ! !henry hct ! c7h14ooh1-3<=>oh+ch2o+c6h12-1 2.147e+09 1.23 3.037e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>oh+ch3cho+c5h10-1 1.548e+12 0.59 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>oh+nc4h9cho+c2h4 8.182e+13 -0.13 3.133e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>oh+c2h5cho+c4h8-1 2.661e+13 0.13 3.043e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>oh+nc3h7cho+c3h6 6.186e+13 0.09 3.084e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>c4h7ooh1-4+nc3h7 1.609e+12 0.54 2.774e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh1-4<=>c5h10-1+c2h4+ho2 1.446e+11 0.69 3.082e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-4<=>c5h9ooh1-5+c2h5 1.721e+12 0.51 2.790e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-4<=>c5h9ooh1-4+c2h5 4.080e+12 0.32 2.923e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-5<=>c4h8-1+c3h6ooh2-1 6.856e+13 0.03 3.138e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-5<=>c6h11ooh1-5+ch3 7.417e+10 0.75 3.026e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh3-5<=>c6h11ooh1-4+ch3 7.417e+10 0.75 3.026e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh3-6<=>c4h8ooh2-1+c3h6 4.578e+11 0.60 2.917e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh4-1<=>c5h10ooh2-1+c2h4 1.643e+12 0.44 2.932e+04 rev/ 2.200e+03 2.48 6.130e+03 / ! ! ! c7h14ooh1-2o2<=>c7h14ooh1-2 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-3o2<=>c7h14ooh1-3 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-4o2<=>c7h14ooh1-4 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-5o2<=>c7h14ooh1-5 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-1o2<=>c7h14ooh2-1 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh2-3o2<=>c7h14ooh2-3 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-4o2<=>c7h14ooh2-4 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-5o2<=>c7h14ooh2-5 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-6o2<=>c7h14ooh2-6 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-1o2<=>c7h14ooh3-1 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh3-2o2<=>c7h14ooh3-2 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-4o2<=>c7h14ooh3-4 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-5o2<=>c7h14ooh3-5 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-6o2<=>c7h14ooh3-6 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-7o2<=>c7h14ooh3-7 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh4-1o2<=>c7h14ooh4-1 + o2 1.668e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh4-2o2<=>c7h14ooh4-2 + o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh4-3o2<=>c7h14ooh4-3 + o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / ! ! ! ! ! ! c7h14ooh1-2o2<=>nc7ket12 + oh 2.000e+11 0.00 2.600e+04 !rev/ 2.881e+04 1.40 4.683e+04 / c7h14ooh1-3o2<=>nc7ket13 + oh 2.500e+10 0.00 2.100e+04 !rev/ 6.874e+02 1.60 4.508e+04 / c7h14ooh1-4o2<=>nc7ket14 + oh 3.125e+09 0.00 1.895e+04 !rev/ 8.593e+01 1.60 4.303e+04 / c7h14ooh1-5o2<=>nc7ket15 + oh 3.906e+08 0.00 2.215e+04 !rev/ 1.074e+01 1.60 4.623e+04 / c7h14ooh2-1o2<=>nc7ket21 + oh 1.000e+11 0.00 2.345e+04 !rev/ 2.453e+03 1.59 4.739e+04 / c7h14ooh2-3o2<=>nc7ket23 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.798e+03 1.79 4.703e+04 / c7h14ooh2-4o2<=>nc7ket24 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh2-5o2<=>nc7ket25 + oh 1.563e+09 0.00 1.565e+04 !rev/ 4.202e+00 2.02 4.244e+04 / c7h14ooh2-6o2<=>nc7ket26 + oh 1.953e+08 0.00 1.865e+04 !rev/ 5.251e-01 2.02 4.544e+04 / c7h14ooh3-1o2<=>nc7ket31 + oh 1.250e+10 0.00 1.745e+04 !rev/ 4.250e+01 1.94 4.456e+04 / c7h14ooh3-2o2<=>nc7ket32 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / c7h14ooh3-4o2<=>nc7ket34 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / c7h14ooh3-5o2<=>nc7ket35 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh3-6o2<=>nc7ket36 + oh 1.563e+09 0.00 1.565e+04 !rev/ 4.202e+00 2.02 4.244e+04 / c7h14ooh3-7o2<=>nc7ket37 + oh 1.953e+08 0.00 1.865e+04 !rev/ 6.640e-01 1.94 4.576e+04 / c7h14ooh4-1o2<=>nc7ket41 + oh 1.563e+09 0.00 1.565e+04 !rev/ 5.314e+00 1.94 4.276e+04 / c7h14ooh4-2o2<=>nc7ket42 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh4-3o2<=>nc7ket43 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / ! ! ! ! ! ! ! nc7ket12<=>nc5h11cho+hco + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket13<=>nc4h9cho+ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket14<=>nc3h7cho+ch2ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket15<=>c2h5cho+c3h6cho-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket21<=>ch2o+nc5h11co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket23<=>nc4h9cho+ch3co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket24<=>nc3h7cho+ch3coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket25<=>c2h5cho+ch2ch2coch3 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket26<=>ch3cho+c3h6coch3-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket31<=>ch2o+nc4h9coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket32<=>ch3cho+nc4h9co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket34<=>nc3h7cho+c2h5co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket35<=>c2h5cho+c2h5coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket36<=>ch3cho+c2h5coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket37<=>ch2o+c3h6coc2h5-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket41<=>ch2o+nc3h7coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket42<=>ch3cho+nc3h7coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket43<=>c2h5cho+nc3h7co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2 + oh<=>pc4h9+c2h3cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3 + oh<=>c6h12-1+hco+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4 + oh<=>c5h10-1+ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5 + oh<=>c4h8-1+ch2ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3 + oh<=>c2h3coch3+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4 + oh<=>ch3co+c5h10-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5 + oh<=>ch3coch2+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6 + oh<=>ch2ch2coch3+c3h6+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4 + oh<=>c2h5coc2h3+c2h5+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5 + oh<=>c2h5co+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2 + oh<=>ch2co+c5h11-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3 + oh<=>c2h4+nc4h9co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4 + oh<=>c2h4+nc3h7coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5 + oh<=>c2h4+c2h5coc2h4p+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3 + oh<=>ch3chco+pc4h9+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4 + oh<=>c3h6+nc3h7co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5 + oh<=>c3h6+c2h5coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6 + oh<=>ch3cho+c5h91-4+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4 + oh<=>c2h5chco+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5 + oh<=>c2h5cho+c4h71-2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2+ho2<=>pc4h9+c2h3cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c6h12-1+hco+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c5h10-1+ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5+ho2<=>c4h8-1+ch2ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3+ho2<=>c2h3coch3+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>ch3co+c5h10-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>ch3coch2+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6+ho2<=>ch2ch2coch3+c3h6+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4+ho2<=>c2h5coc2h3+c2h5+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5co+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2+ho2<=>ch2co+c5h11-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c2h4+nc4h9co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c2h4+nc3h7coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5+ho2<=>c2h4+c2h5coc2h4p+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3+ho2<=>ch3chco+pc4h9+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>c3h6+nc3h7co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>c3h6+c2h5coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6+ho2<=>ch3cho+c5h91-4+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4+ho2<=>c2h5chco+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5cho+c4h71-2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-1<=>c7h14-1 + oh 5.430e+14 -0.53 2.783e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-1<=>c7h14oh-1 + o2 2.983e+21 -1.98 3.782e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-1<=>nc5h11cho+ch2o + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-2<=>c7h14-2 + oh 1.044e+16 -1.00 2.940e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-2<=>c7h14oh-2 + o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-1<=>nc4h9cho+ch3cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-3<=>c7h14-3 + oh 7.773e+15 -0.93 2.949e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-3<=>c7h14oh-3 + o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-3<=>nc3h7cho+c2h5cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc5h11cho + o2<=>nc5h11co+ho2 2.000e+13 0.50 4.220e+04 rev/ 1.000e+07 0.00 4.000e+04 / nc5h11cho + oh<=>nc5h11co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 1.740e+10 0.76 3.120e+04 / nc5h11cho+h<=>nc5h11co+h2 4.000e+13 0.00 4.200e+03 rev/ 1.800e+13 0.00 2.400e+04 / nc5h11cho+o<=>nc5h11co + oh 5.000e+12 0.00 1.790e+03 rev/ 1.000e+12 0.00 1.900e+04 / nc5h11cho+ho2<=>nc5h11co+h2o2 2.800e+12 0.00 1.360e+04 rev/ 1.000e+12 0.00 1.000e+04 / nc5h11cho+ch3<=>nc5h11co+ch4 1.700e+12 0.00 8.440e+03 rev/ 1.500e+13 0.00 2.800e+04 / nc5h11cho+ch3o<=>nc5h11co+ch3oh 1.150e+11 0.00 1.280e+03 rev/ 3.000e+11 0.00 1.800e+04 / nc5h11cho+ch3o2<=>nc5h11co+ch3o2h 1.000e+12 0.00 9.500e+03 rev/ 2.500e+10 0.00 1.000e+04 / nc5h11cho + oh<=>c5h10cho-1+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.96 2.101e+04 / nc5h11cho + oh<=>c5h10cho-2+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-3+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 3.317e+09 1.25 3.084e+04 / nc5h11co<=>c5h11-1+co 1.000e+11 0.00 9.600e+03 rev/ 1.000e+11 0.00 0.000e+00 / nc5h11cho+ho2<=>c5h10cho-1+h2o2 2.760e+04 2.55 1.648e+04 rev/ 3.330e+04 2.22 4.442e+03 / nc5h11cho+ho2<=>c5h10cho-2+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-3+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-4+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-5+h2o2 2.950e+04 2.60 1.391e+04 rev/ 1.244e+07 1.91 1.332e+04 / nc5h11cho+ch3o2<=>c5h10cho-1+ch3o2h 6.030e+12 0.00 1.938e+04 rev/ 2.990e+13 -0.51 6.617e+03 / nc5h11cho+ch3o2<=>c5h10cho-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-3+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-4+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-5+ch3o2h 3.980e+12 0.00 1.705e+04 rev/ 6.897e+15 -0.86 1.574e+04 / c5h10cho-1<=>c2h4+c3h6cho-1 2.680e+18 -1.58 3.041e+04 rev/ 2.500e+11 0.00 7.800e+03 / c5h10cho-2<=>c3h6+ch2ch2cho 9.380e+17 -1.31 3.197e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-3<=>c4h8-1+ch2cho 6.270e+16 -1.43 2.599e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-3<=>c4h7cho1-4+ch3 2.373e+14 -0.56 3.132e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-4<=>ac3h5cho+c2h5 7.188e+17 -1.37 3.323e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-4<=>c5h10-1+hco 1.057e+14 -0.41 2.633e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-5<=>c2h3cho+nc3h7 1.564e+19 -1.53 3.331e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h7cho1-4 + oh<=>c4h7co1-4+h2o 3.370e+12 0.00 -6.160e+02 rev/ 2.398e+12 -0.02 3.094e+04 / c4h7cho1-4 + oh<=>c4h6cho1-43+h2o 2.080e+06 2.00 -2.980e+02 rev/ 1.187e+08 1.74 3.498e+04 / c4h7cho1-4 + oh<=>c4h6cho1-44+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.502e+09 1.31 2.890e+04 / c4h7cho1-4 + oh<=>ch3cho+ch2ch2cho 1.000e+11 0.00 0.000e+00 rev/ 5.344e+06 0.97 1.926e+04 / c4h7cho1-4+ho2<=>c4h7co1-4+h2o2 1.000e+12 0.00 1.192e+04 rev/ 4.225e+12 -0.35 1.201e+04 / c4h7cho1-4+ho2<=>c4h6cho1-43+h2o2 9.640e+03 2.60 1.391e+04 rev/ 3.265e+06 2.01 1.773e+04 / c4h7cho1-4+ho2<=>c4h6cho1-44+h2o2 1.475e+04 2.60 1.391e+04 rev/ 2.815e+06 1.97 1.138e+04 / c4h7cho1-4+ch3o2<=>c4h7co1-4+ch3o2h 2.800e+12 0.00 1.360e+04 rev/ 4.861e+13 -0.52 1.297e+04 / c4h7cho1-4+ch3o2<=>c4h6cho1-43+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 2.770e+15 -0.77 2.015e+04 / c4h7cho1-4+ch3o2<=>c4h6cho1-44+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.561e+15 -0.80 1.380e+04 / c4h7co1-4<=>c4h71-4+co 7.372e+18 -1.76 1.523e+04 rev/ 1.500e+11 0.00 4.810e+03 / c4h6cho1-43<=>c4h6+hco 4.834e+15 -0.79 3.354e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h6cho1-44<=>c2h3cho+c2h3 2.118e+14 -0.39 3.716e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc4h9coch3 + oh<=>c4h8coch3-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 4.278e+06 1.72 2.019e+04 / nc4h9coch3 + oh<=>c4h8coch3-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.070e+05 2.04 2.163e+04 / nc4h9coch3 + oh<=>c4h8coch3-3+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.070e+05 2.04 2.163e+04 / nc4h9coch3 + oh<=>c4h8coch3-4+h2o 8.450e+11 0.00 -2.280e+02 rev/ 1.633e+13 -0.23 2.864e+04 / nc4h9coch3 + oh<=>nc4h9coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 6.786e+13 -0.70 2.768e+04 / nc4h9coch3+ho2<=>c4h8coch3-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.927e+04 2.21 4.462e+03 / nc4h9coch3+ho2<=>c4h8coch3-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 2.823e+11 0.07 8.112e+03 / nc4h9coch3+ho2<=>c4h8coch3-3+h2o2 5.600e+12 0.00 1.770e+04 rev/ 2.823e+11 0.07 8.112e+03 / nc4h9coch3+ho2<=>c4h8coch3-4+h2o2 2.000e+11 0.00 8.698e+03 rev/ 2.294e+13 -0.56 6.100e+03 / nc4h9coch3+ho2<=>nc4h9coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 1.880e+07 1.52 9.712e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.521e+13 -0.51 6.627e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.123e+11 -0.11 6.744e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-3+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.123e+11 -0.11 6.744e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-4+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 9.429e+14 -0.73 1.193e+04 / nc4h9coch3+ch3o2<=>nc4h9coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 9.770e+15 -1.21 1.188e+04 / c4h8coch3-1<=>ch2ch2coch3+c2h4 1.133e+18 -1.59 3.091e+04 rev/ 1.000e+11 0.00 8.300e+03 / c4h8coch3-2<=>c3h6+ch3coch2 3.175e+15 -0.79 2.622e+04 rev/ 1.000e+11 0.00 8.300e+03 / c4h8coch3-3<=>c4h8-1+ch3co 1.714e+18 -1.61 2.825e+04 rev/ 1.000e+11 0.00 9.800e+03 / c4h8coch3-4<=>c2h3coch3+c2h5 4.691e+19 -1.61 3.375e+04 rev/ 1.000e+11 0.00 8.300e+03 / nc4h9coch2<=>pc4h9+ch2co 1.554e+18 -1.41 4.314e+04 rev/ 1.000e+11 0.00 1.160e+04 / c4h7ooh1-4<=>c4h7o1-4 + oh 2.021e+20 -1.53 4.704e+04 rev/ 2.000e+13 0.00 0.000e+00 / c5h9ooh1-4<=>c5h9o1-4 + oh 1.178e+20 -1.38 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c5h9ooh1-5<=>c5h9o1-5 + oh 1.594e+20 -1.50 4.699e+04 rev/ 2.000e+13 0.00 0.000e+00 / c6h11ooh1-4<=>c6h11o1-4 + oh 1.234e+20 -1.39 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c6h11ooh1-5<=>c6h11o1-5 + oh 1.234e+20 -1.39 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c4h7o1-4<=>ch2o+c3h5-a 2.412e+16 -1.14 7.550e+03 rev/ 1.000e+11 0.00 1.190e+04 / c5h9o1-4<=>ch3cho+c3h5-a 7.715e+20 -2.43 5.890e+03 rev/ 5.000e+10 0.00 9.600e+03 / c5h9o1-4<=>ac3h5cho+ch3 1.112e+17 -1.21 1.796e+04 rev/ 1.000e+11 0.00 9.600e+03 / c5h9o1-5<=>ch2o+c4h71-4 4.310e+17 -1.33 1.794e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-4<=>ac3h5cho+c2h5 7.268e+20 -2.10 1.887e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-4<=>c2h5cho+c3h5-a 1.211e+21 -2.46 5.641e+03 rev/ 5.000e+10 0.00 9.600e+03 / c6h11o1-5<=>c4h7cho1-4+ch3 2.399e+17 -1.30 1.696e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-5<=>ch3cho+c4h71-4 1.999e+22 -2.58 1.853e+04 rev/ 1.000e+11 0.00 9.600e+03 / c5h91-1<=>c2h2+nc3h7 2.755e+15 -0.67 3.080e+04 rev/ 2.000e+11 0.00 7.800e+03 / c4h7cho1-1 + oh<=>c4h7co1-1+h2o 3.370e+12 0.00 -6.160e+02 rev/ 5.203e+12 0.03 3.680e+04 / c4h7cho1-1 + oh<=>c4h6cho1-14+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.067e+09 0.96 2.102e+04 / c4h7cho1-1 + oh<=>c4h6cho1-13+h2o 3.120e+06 2.00 -2.980e+02 rev/ 1.251e+08 1.79 3.493e+04 / c4h7cho1-1 + oh<=>c2h5cho+ch2cho 1.000e+11 0.00 0.000e+00 rev/ 1.076e+07 1.10 1.702e+04 / c4h7cho1-1+ho2<=>c4h7co1-1+h2o2 1.000e+12 0.00 1.192e+04 rev/ 9.165e+12 -0.30 1.787e+04 / c4h7cho1-1+ho2<=>c4h6cho1-14+h2o2 2.760e+04 2.55 1.648e+04 rev/ 3.317e+04 2.22 4.452e+03 / c4h7cho1-1+ho2<=>c4h6cho1-13+h2o2 9.640e+03 2.60 1.391e+04 rev/ 2.295e+06 2.06 1.768e+04 / c4h7cho1-1+ch3o2<=>c4h7co1-1+ch3o2h 2.800e+12 0.00 1.360e+04 rev/ 1.055e+14 -0.47 1.883e+04 / c4h7cho1-1+ch3o2<=>c4h6cho1-14+ch3o2h 6.030e+12 0.00 1.938e+04 rev/ 2.978e+13 -0.51 6.627e+03 / c4h7cho1-1+ch3o2<=>c4h6cho1-13+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.947e+15 -0.72 2.010e+04 / c4h7co1-1<=>c4h71-1+co 8.510e+20 -2.12 4.032e+04 rev/ 1.500e+11 0.00 4.810e+03 / c4h6cho1-14<=>c2h4+chchcho 9.050e+16 -1.33 4.687e+04 rev/ 8.000e+10 0.00 1.140e+04 / c4h6cho1-13<=>c4h6+hco 8.954e+17 -1.28 4.623e+04 rev/ 8.000e+10 0.00 1.140e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 5.173e+06 1.70 2.022e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 7.233e+05 1.92 2.176e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 3.313e+13 -0.32 2.874e+04 / nc3h7coc2h5 + oh<=>nc3h7coc2h4p+h2o 5.100e+11 0.00 1.192e+03 rev/ 1.278e+11 -0.03 2.066e+04 / nc3h7coc2h5 + oh<=>nc3h7coc2h4s+h2o 8.450e+11 0.00 -2.280e+02 rev/ 3.313e+13 -0.32 2.874e+04 / nc3h7coc2h5+ho2<=>c3h6coc2h5-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 3.539e+04 2.19 4.492e+03 / nc3h7coc2h5+ho2<=>c3h6coc2h5-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 6.652e+11 -0.05 8.242e+03 / nc3h7coc2h5+ho2<=>c3h6coc2h5-3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 4.654e+13 -0.65 6.200e+03 / nc3h7coc2h5+ho2<=>nc3h7coc2h4p+h2o2 2.380e+04 2.55 1.469e+04 rev/ 3.539e+04 2.19 2.692e+03 / nc3h7coc2h5+ho2<=>nc3h7coc2h4s+h2o2 2.000e+11 0.00 8.698e+03 rev/ 4.654e+13 -0.65 6.200e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.839e+13 -0.54 6.657e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 9.713e+11 -0.22 6.874e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.913e+15 -0.83 1.203e+04 / nc3h7coc2h5+ch3o2<=>nc3h7coc2h4p+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 1.839e+13 -0.54 4.862e+03 / nc3h7coc2h5+ch3o2<=>nc3h7coc2h4s+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.913e+15 -0.83 1.203e+04 / c3h6coc2h5-1<=>c2h4+c2h5coch2 2.218e+15 -0.84 2.359e+04 rev/ 2.500e+11 0.00 7.800e+03 / c3h6coc2h5-2<=>c3h6+c2h5co 4.051e+16 -1.11 2.615e+04 rev/ 1.000e+11 0.00 8.300e+03 / c3h6coc2h5-3<=>c2h5coc2h3+ch3 2.915e+15 -0.68 3.230e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc3h7coc2h4p<=>nc3h7co+c2h4 5.398e+17 -1.45 2.604e+04 rev/ 2.500e+11 0.00 7.800e+03 / nc3h7coc2h4s<=>ch3chco+nc3h7 1.973e+19 -1.49 4.286e+04 rev/ 1.000e+11 0.00 1.060e+04 / chchcho + oh<=>ch2cho+hco 1.000e+12 0.00 0.000e+00 rev/ 2.719e+11 0.29 3.620e+04 / ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! hexene module ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! o2+c6h12-1=>ch2o+nc4h9cho .1000e+15 .000 37000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 1 initiations ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! c6h12-1<=>c3h6+c3h6 4.000e+12 0.00 5.800e+04 !! ! ! ! !c6h12-1<=>nc3h7+c3h5-a 2.500e+16 0.00 7.100e+04 c6h111-3+h<=>c6h12-1 1.000e+14 0.00 0.000e+00 c5h91-5+ch3<=>c6h12-1 1.000e+13 0.00 0.000e+00 pc4h9+c2h3<=>c6h12-1 1.000e+13 0.00 0.000e+00 !!1988ts-887 c4h71-4+c2h5<=>c6h12-1 8.000e+12 0.00 0.000e+00 ! ! c6h111-3+h<=>c6h12-2 1.000e+14 0.00 0.000e+00 c6h112-4+h<=>c6h12-2 1.000e+14 0.00 0.000e+00 c5h92-5+ch3<=>c6h12-2 1.000e+13 0.00 0.000e+00 nc3h7+c3h5-t<=>c6h12-2 1.000e+13 0.00 0.000e+00 ! ! c6h112-4+h<=>c6h12-3 1.000e+14 0.00 0.000e+00 c4h71-1+c2h5<=>c6h12-3 1.000e+13 0.00 0.000e+00 ! ! ! !added... mm ! ! c6h12-1 + o2<=>c6h111-3+ho2 2.200e+12 0.00 3.722e+04 ! c6h12-1 + o2<=>c6h111-4+ho2 2.000e+13 0.00 4.964e+04 c6h12-1 + o2<=>c6h111-5+ho2 2.000e+13 0.00 4.964e+04 c6h12-1 + o2<=>c6h111-6+ho2 3.000e+13 0.00 5.229e+04 ! c6h12-1+o<=>c6h111-3 + oh 6.600e+05 2.43 1.210e+03 c6h12-1+o<=>c6h111-4 + oh 5.510e+05 2.45 2.830e+03 c6h12-1+o<=>c6h111-5 + oh 5.510e+05 2.45 2.830e+03 c6h12-1+o<=>c6h111-6 + oh 9.800e+05 2.43 4.750e+03 ! ! c6h12-2 + o2<=>c6h111-3+ho2 5.500e+12 0.00 3.990e+04 c6h12-2 + o2<=>c6h112-4+ho2 2.200e+12 0.00 3.722e+04 c6h12-2 + o2<=>c6h112-5+ho2 2.000e+13 0.00 4.964e+04 c6h12-2 + o2<=>c6h112-6+ho2 3.000e+13 0.00 5.229e+04 ! c6h12-2+o<=>c6h111-3 + oh 4.410e+05 2.42 3.150e+03 c6h12-2+o<=>c6h112-4 + oh 6.600e+05 2.43 1.210e+03 c6h12-2+o<=>c6h112-5 + oh 5.510e+05 2.45 2.830e+03 c6h12-2+o<=>c6h112-6 + oh 9.800e+05 2.43 4.750e+03 ! ! c6h12-3 + o2<=>c6h112-4+ho2 4.400e+12 0.00 3.722e+04 c6h12-3 + o2<=>c6h113-1+ho2 6.000e+13 0.00 5.229e+04 ! c6h12-3+o<=>c6h112-4 + oh 1.320e+06 2.43 1.210e+03 c6h12-3+o<=>c6h113-1 + oh 1.960e+06 2.43 4.750e+03 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 3 beta-decomposition ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c2h5+c4h6=c6h111-3 8.500e+10 0.000 8300.0 ! ch3+c5h81-4=c6h111-4 1.000e+11 0.000 7800.0 ! c3h5-a+c3h6=c6h111-5 4.000e+11 0.000 16900.0 !mm 1996b-r/m-r829-847 !!!! *2 -1000 ! c4h71-4+c2h4=c6h111-6 1.000e+11 0.000 8200.0 ! ! ch3+c5h81-3=c6h112-4 6.000e+10 0.000 7500.0 !mm 1988per/ric621 ! c3h5-t+c3h6=c6h112-5 6.300e+11 0.000 3100.0 ! c4h71-3+c2h4=c6h112-6 4.000e+11 0.000 13050.0 !mm 2004s-e/rey426-444 ! ! c4h71-1+c2h4=c6h113-1 6.300e+11 0.000 3100.0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 5 isomerization ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! c6h111-6<=>c6h111-4 3.80e+10 0.670 3.600e+04 c6h111-6<=>c6h111-5 3.56e+10 0.880 3.730e+04 ! ! c6h112-6<=>c6h112-4 3.80e+10 0.670 2.840e+04 c6h112-6<=>c6h112-5 3.56e+10 0.880 3.730e+04 ! ! c6h113-1<=>c6h112-4 3.56e+10 0.880 2.960e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 7 oh addition on // ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 10 o2 addition on r ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !o2 -ddition ! c6h111-3 + o2=c6h112o2-1 .2000e+13 .000 .0 c6h111-3 + o2=c6h111o2-3 .2000e+13 .000 .0 c6h111-4 + o2=c6h111o2-4 .7540e+13 .000 .0 c6h111-5 + o2=c6h111o2-5 .7540e+13 .000 .0 c6h111-6 + o2=c6h111o2-6 .4520e+13 .000 .0 ! c6h112-4 + o2=c6h113o2-2 .2000e+13 .000 .000 c6h112-4 + o2=c6h112o2-4 .2000e+13 .000 .000 c6h112-5 + o2=c6h112o2-5 .7540e+13 .000 .0 c6h112-6 + o2=c6h112o2-6 .4520e+13 .000 .0 ! c6h113-1 + o2=c6h113o2-1 .4520e+13 .000 .0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 12ii direct elimination ho2 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! c6h111o2-3=>c6h101-3+ho2 10.040e+38 -8.11 4.05e+04 c6h111o2-4=>c6h101-3+ho2 2.040e+38 -8.11 3.85e+04 c6h111o2-5=>c6h101-4+ho2 10.040e+38 -8.11 4.05e+04 ! c6h111o2-6=>c6h101-5+ho2 10.040e+38 -8.11 4.05e+04 ! c6h111o2-5=>c6h101-5+ho2 10.080e+42 -9.41 4.15e+04 ! ! c6h112o2-4=>c6h101-3+ho2 5.040e+38 -8.11 4.05e+04 ! c6h112o2-5=>c6h102-4+ho2 1.040e+38 -8.11 3.75e+04 c6h112o2-6=>c6h101-4+ho2 5.040e+38 -8.11 4.05e+04 ! ! ! c6h113o2-2=>c6h101-3+ho2 5.080e+42 -9.41 4.15e+04 c6h113o2-1=>c6h101-3+ho2 1.040e+38 -8.11 3.75e+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 12i roo isomerization ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !peroxy r-d. isomeriztion to alk.hydroperoxy ! c6h111o2-3=c6h101ooh3-4 2.000e+11 0.000 2.645e+04 c6h111o2-3=c6h101ooh3-5 2.500e+10 0.000 2.045e+04 c6h111o2-3=c6h101ooh3-6 9.376e+09 0.000 2.195e+04 c6h111o2-4=c6h101ooh4-3 2.000e+11 0.000 2.445e+04 !! -2000 c6h111o2-4=c6h101ooh4-5 2.000e+11 0.000 2.645e+04 c6h111o2-4=c6h101ooh4-6 3.750e+10 0.000 2.400e+04 c6h111o2-5=c6h101ooh5-3 2.500e+10 0.000 1.845e+04 !! -2000 c6h111o2-5=c6h101ooh5-4 2.000e+11 0.000 2.645e+04 c6h111o2-5=c6h101ooh5-6 3.000e+11 0.000 2.900e+04 c6h111o2-6=c6h101ooh6-3 3.125e+09 0.000 1.665e+04 !! -2000 c6h111o2-6=c6h101ooh6-4 2.500e+10 0.000 2.045e+04 c6h111o2-6=c6h101ooh6-5 2.000e+11 0.000 2.645e+04 ! ! ! c6h112o2-4=c6h102ooh4-5 2.00e+11 0.000 2.645e+04 c6h112o2-4=c6h102ooh4-6 3.75e+10 0.000 2.400e+04 c6h112o2-5=c6h102ooh5-4 2.00e+11 0.000 2.445e+04 !! -2000 c6h112o2-5=c6h102ooh5-6 3.00e+11 0.000 2.900e+04 c6h112o2-6=c6h102ooh6-4 2.500e+10 0.000 1.845e+04 !! -2000 c6h112o2-6=c6h102ooh6-5 2.00e+11 0.000 2.645e+04 ! ! ! c6h113o2-1=c6h103ooh1-2 2.000e+11 0.000 2.445e+04 !! -2000 c6h113o2-2=c6h103ooh2-1 3.00e+11 0.000 2.900e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 19 eterocycle formation ! ox-ne not included ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !eterocycle form-tion (complete list) (x -ll) ! c6h101ooh3-4=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh3-5=>mvox + oh 7.500e+10 0.000 15250.0 c6h101ooh3-4=>vthf + oh 9.375e+09 0.000 07000.0 c6h101ooh4-3=>edhf + oh 9.375e+09 0.000 07000.0 !mm 9.375e+09 c6h101ooh4-3=>etes1 + oh 6.000e+11 0.000 22000.0 !mm 6.000e+11 c6h101ooh4-5=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh4-6=>etes1 + oh 7.500e+10 0.000 15250.0 c6h101ooh5-3=>mvox + oh 7.500e+10 0.000 15250.0 !mm 7.500e+10 c6h101ooh5-4=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh5-6=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh6-3=>vthf + oh 9.375e+09 0.000 07000.0 !mm c6h101ooh6-4=>etes1 + oh 7.500e+10 0.000 15250.0 c6h101ooh6-5=>etes1 + oh 6.000e+11 0.000 22000.0 !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! c6h102ooh4-5=>etes1 + oh 6.000e+11 0.000 22000.0 c6h102ooh4-6=>etes1 + oh 7.500e+10 0.000 15250.0 c6h102ooh5-4=>etes1 + oh 6.000e+11 0.000 22000.0 !mm c6h102ooh5-6=>etes1 + oh 6.000e+11 0.000 22000.0 c6h102ooh6-4=>etes1 + oh 7.500e+10 0.000 15250.0 !mm c6h102ooh6-5=>etes1 + oh 6.000e+11 0.000 22000.0 !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! c6h103ooh2-1=>etes1 + oh 6.000e+11 0.000 22000.0 c6h103ooh1-2=>etes1 + oh 6.000e+11 0.000 22000.0 !mm !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 20 ho2 + diolefin formation ! -a> ho2 -ddition on dienes ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! ho2+c6h101-3<=>c6h101ooh3-4 4.85e+11 0.000 1.00e+04 ho2+c6h101-3<=>c6h101ooh4-3 4.85e+11 0.000 0.90e+04 ho2+c6h101-4<=>c6h101ooh4-5 3.40e+11 0.000 1.18e+04 !mm /2 ho2+c6h101-4<=>c6h101ooh5-4 3.40e+11 0.000 1.18e+04 !mm /2 ho2+c6h101-5<=>c6h101ooh5-6 1.00e+12 0.000 1.37e+04 ho2+c6h101-5<=>c6h101ooh6-5 1.00e+12 0.000 1.37e+04 ! ! ho2+c6h102-4<=>c6h102ooh4-5 3.80e+11 0.000 8.80e+03 ho2+c6h102-4<=>c6h102ooh5-4 3.80e+11 0.000 7.80e+03 ho2+c6h101-4<=>c6h102ooh5-6 1.00e+12 0.000 1.37e+04 ho2+c6h101-4<=>c6h102ooh6-5 1.00e+12 0.000 1.37e+04 ! ! ho2+c6h101-3<=>c6h103ooh2-1 4.85e+11 0.000 1.00e+04 ho2+c6h101-3<=>c6h103ooh1-2 4.85e+11 0.000 0.90e+04 ! ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 20b ho2 + olefin formation ! -a> ho2 -ddition on hexenes ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c6h12-1+ho2<=>c6h12ooh1-2 1.00e+12 0.000 1.37e+04 c6h12-1+ho2<=>c6h12ooh2-1 1.00e+12 0.000 1.37e+04 ! c6h12-2+ho2<=>c6h12ooh2-3 6.80e+11 0.000 1.18e+04 c6h12-2+ho2<=>c6h12ooh3-2 6.80e+11 0.000 1.18e+04 ! c6h12-3+ho2<=>c6h12ooh3-4 6.80e+11 0.000 1.18e+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 21 qooh decompositions ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !bet-adecomposition ! c6h101ooh3-4=>ch3+ac3h5ooh+c2h2 .3000e+14 .000 33500.0 c6h101ooh3-5=>oh+c3h6+c2h3cho .3000e+14 .000 23000.0 c6h101ooh3-6=>ho2+c4h6+c2h4 .3000e+14 .000 30000.0 c6h101ooh4-3=>c2h5+ch3o2h+c3h2 .1000e+14 .000 35000.0 c6h101ooh4-5=>c3h5-a+ac3h5ooh .3000e+14 .000 23000.0 c6h101ooh4-6=>oh+c2h3coch3+c2h4 .3000e+14 .000 30000.0 c6h101ooh5-3=>oh+c4h6+ch3cho .1000e+14 .000 35000.0 c6h101ooh5-4=>ch3+ch3o2h+2c2h2 .3000e+14 .000 33500.0 c6h101ooh5-6=>c4h71-4+c2h3ooh .3000e+14 .000 30000.0 c6h101ooh6-3=>ho2+c4h6+c2h4 .1000e+14 .000 35000.0 c6h101ooh6-4=>oh+c5h81-4+ch2o .3000e+14 .000 29500.0 c6h101ooh6-5=>c3h5-a+ac3h5ooh .3000e+14 .000 23000.0 ! ! c6h102ooh4-6=>oh+c2h3coch3+c2h4 .3000e+14 .000 22000.0 c6h102ooh5-6=>c4h71-3+ch2cho + oh .3000e+14 .000 22000.0 c6h102ooh6-4=>oh+c5h81-3+ch2o .1000e+14 .000 35000.0 c6h102ooh6-5=>c3h5-t+ac3h5ooh .3000e+14 .000 39000.0 ! ! c6h103ooh2-1=>c4h71-4+ch2cho + oh .3000e+14 .000 39000.0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 22 o2 addition on qooh ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! c6h101ooh3-4 + o2=c6h101ooh3-4o2 .7540e+13 .000 .0 c6h101ooh3-5 + o2=c6h101ooh3-5o2 .7540e+13 .000 .0 c6h101ooh3-6 + o2=c6h101ooh3-6o2 .4520e+13 .000 .0 c6h101ooh4-3 + o2=c6h101ooh4-3o2 .2000e+13 .000 .0 c6h101ooh4-5 + o2=c6h101ooh4-5o2 .7540e+13 .000 .0 c6h101ooh4-6 + o2=c6h101ooh4-6o2 .4520e+13 .000 .0 c6h101ooh5-3 + o2=c6h101ooh5-3o2 .2000e+13 .000 .0 c6h101ooh5-4 + o2=c6h101ooh5-4o2 .7540e+13 .000 .0 c6h101ooh5-6 + o2=c6h101ooh5-6o2 .4520e+13 .000 .0 c6h101ooh6-3 + o2=c6h101ooh6-3o2 .2000e+13 .000 .0 c6h101ooh6-4 + o2=c6h101ooh6-4o2 .7540e+13 .000 .0 c6h101ooh6-5 + o2=c6h101ooh6-5o2 .7540e+13 .000 .0 ! ! ! c6h102ooh4-5 + o2=c6h102ooh4-5o2 .7540e+13 .000 .0 c6h102ooh4-6 + o2=c6h102ooh4-6o2 .4520e+13 .000 .0 c6h102ooh5-4 + o2=c6h102ooh5-4o2 .1000e+13 .000 .0 c6h102ooh5-6 + o2=c6h102ooh5-6o2 .4520e+13 .000 .0 c6h102ooh6-4 + o2=c6h102ooh6-4o2 .1000e+13 .000 .0 c6h102ooh6-5 + o2=c6h102ooh6-5o2 .7540e+13 .000 .0 c6h103ooh2-1 + o2=c6h103ooh2-1o2 .4520e+13 .000 .0 c6h103ooh1-2 + o2=c6h103ooh1-2o2 .1000e+13 .000 .0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 23 ketohydro perox. formation ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c6h101ooh3-4o2=>nc6d1ket34 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h101ooh3-5o2=>nc6d1ket35 + oh 1.250e+10 0.000 1.545e+04 ! -2000 c6h101ooh3-6o2=>nc6d1ket36 + oh 1.563e+09 0.000 1.365e+04 ! -2000 c6h101ooh4-3o2=>nc6d1ket43 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh4-5o2=>nc6d1ket45 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh4-6o2=>nc6d1ket46 + oh 1.25e+10 0.000 1.745e+04 c6h101ooh5-3o2=>nc6d1ket53 + oh 1.25e+10 0.000 1.745e+04 c6h101ooh5-4o2=>nc6d1ket54 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh5-6o2=>nc6d1ket56 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh6-3o2=>nc6d1ket63 + oh 3.12e+09 0.000 2.215e+04 c6h101ooh6-4o2=>nc6d1ket64 + oh 2.50e+10 0.000 2.100e+04 c6h101ooh6-5o2=>nc6d1ket65 + oh 2.00e+11 0.000 2.615e+04 ! ! c6h102ooh4-5o2=>nc6d2ket45 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h102ooh4-6o2=>nc6d2ket46 + oh 1.250e+10 0.000 1.545e+04 ! -2000 c6h102ooh5-4o2=>nc6d2ket54 + oh 1.00e+11 0.000 2.345e+04 c6h102ooh5-6o2=>nc6d2ket56 + oh 1.00e+11 0.000 2.345e+04 c6h102ooh6-4o2=>nc6d2ket64 + oh 2.50e+10 0.000 2.100e+04 c6h102ooh6-5o2=>nc6d2ket65 + oh 2.00e+11 0.000 2.600e+04 ! ! c6h103ooh2-1o2=>nc6d3ket21 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h103ooh1-2o2=>nc6d3ket12 + oh 2.00e+11 0.000 2.600e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 23 ketohydroperoxide decomposition ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! nc6d1ket34=>oh+c2h3+co+c2h5cho .1000e+17 .000 39000.0 nc6d1ket35=>oh+ch2cho+c2h3coch3 .5000e+16 .000 39000.0 nc6d1ket35=>oh+ch3+co+c2h3coch3 .5000e+16 .000 39000.0 nc6d1ket36=>oh+c2h3+co+ch2o+c2h4 .1000e+17 .000 39000.0 nc6d1ket43=>oh+c3h5o+c2h3cho .1000e+17 .000 39000.0 nc6d1ket45=>oh+c2h3+ch3cho+ch2co .1000e+17 .000 39000.0 nc6d1ket46=>oh+c3h5-a+co+ch3cho .1000e+17 .000 39000.0 nc6d1ket53=>oh+c2h5co+c2h3cho .1000e+17 .000 39000.0 nc6d1ket54=>oh+c3h5-a+co+ch3cho .1000e+17 .000 39000.0 nc6d1ket56=>oh+c3h5-a+ch2co+ch2o .1000e+17 .000 39000.0 nc6d1ket63=>oh+c2h3cho+hco+c2h4 .1000e+17 .000 39000.0 nc6d1ket64=>oh+c3h5-a+ch3cho+co .5000e+16 .000 39000.0 nc6d1ket64=>oh+ch2cho+ac3h5cho .5000e+16 .000 39000.0 nc6d1ket65=>oh+hco+ch2co+c3h6 .1000e+17 .000 39000.0 ! ! nc6d2ket45=>oh+c3h5-t+co+ch3cho .1000e+17 .000 39000.0 nc6d2ket46=>oh+c3h5-t+ch2co+ch2o .1000e+17 .000 39000.0 nc6d2ket54=>oh+ch2cho+c2h3coch3 .1000e+17 .000 39000.0 nc6d2ket56=>oh+c3h5-t+ch2o+ch2co .1000e+17 .000 39000.0 nc6d2ket64=>oh+ch2cho+c2h3coch3 .1000e+17 .000 39000.0 nc6d2ket65=>oh+c4h71-3+co+ch2o .1000e+17 .000 39000.0 ! ! nc6d3ket21=>oh+c4h71-4+co+ch2o .1000e+17 .000 39000.0 nc6d3ket12=>oh+hco+c4h7cho1-4 .1000e+17 .000 39000.0 !! c4h7cho1-4 not actual product ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 2x waddington ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! ! ! !direct decompositions of c6h12oh-x were deleted!!!! ! !and substituted by the following: ! ! c6h12oh-1=>ch3cho+pc4h9 1.500e+13 .000 3.000e+04 c6h12oh-1=>c2h5cho+nc3h7 1.500e+13 .000 3.000e+04 ! ! c6h12oh-2=>nc3h7cho+c2h5 1.500e+13 .000 3.000e+04 c6h12oh-2=>nc4h9cho+ch3 1.500e+13 .000 3.000e+04 ! ! c6h12oh-3=>nc3h7cho+c2h5 3.000e+13 .000 3.000e+04 ! ! ! c6h12-3+o<=>nc3h7+c2h5co 1.000e+11 0.00 -1.050e+03 ! ! ! ! !termination ho2 ! c6h111-4+ho2=c6h111o2h-4 .9000e+13 .000 .0 c6h111-5+ho2=c6h111o2h-5 .9000e+13 .000 .0 c6h111-6+ho2=c6h111o2h-6 .9000e+13 .000 .0 ! ! c6h112-5+ho2=c6h112o2h-5 .9000e+13 .000 .0 c6h112-6+ho2=c6h112o2h-6 .9000e+13 .000 .0 c6h112-4+ho2=c6h113o2h-2 .4000e+13 .000 .0 c6h112-4+ho2=c6h112o2h-4 .4000e+13 .000 .0 ! c6h113-1+ho2=c6h113o2h-1 .9000e+13 .000 .0 ! ! ! ! ! !oh elimination ! c6h112o2-1=>c2h3coc3h7 + oh .4000e+13 .000 38000.0 !!! kes1-a>c2h3coc3h7 -ctu-lly c5h9cho... c6h111o2-3=>c2h3coc3h7 + oh .4000e+13 .000 38000.0 !!! kes1-a>c2h3coc3h7 c6h101ooh3-6=>c2h3coc3h7 + oh .1000e+12 .000 16700.0 !!! kes1-a>c2h3coc3h7 ! ! ! ! ! ! ! ! ! ! !hydroperoxide decomposition ! c6h111o2h-4=>oh+c2h5cho+c3h5-a .1000e+17 .000 39000.0 c6h111o2h-5=>oh+ch3cho+c4h71-4 .1000e+17 .000 39000.0 c6h111o2h-6=>oh+ch2o+c5h91-5 .1000e+17 .000 39000.0 ! ! c6h112o2h-4=>oh+c2h3coch3+c2h5 .1000e+17 .000 39000.0 c6h112o2h-5=>oh+ch3cho+c4h71-3 .1000e+17 .000 39000.0 c6h112o2h-6=>oh+ch2o+c5h91-5 .1000e+17 .000 39000.0 c6h113o2h-2=>oh+ch3cho+c4h71-4 .1000e+17 .000 39000.0 c6h113o2h-1=>oh+ch2o+c5h91-3 .1000e+17 .000 39000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !activation of the ho2 --> oh ! ! ! ! ! ! ! ! !abstraction on eterocycles ! o2 +etes1=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +etes1=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +etes1=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +etes1=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +etes1=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +etes1=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +etes1=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +etes1=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o +etes1=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ch3o2 +etes1=>ch3o2h+c2h3coch3+c2h3 .9133e+06 2.0 12360.44 o2 +mvox=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +mvox=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +mvox=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +mvox=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +mvox=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +mvox=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +mvox=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +mvox=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o2 +mvox=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 c2h3 +mvox=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 ch3o +mvox=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 o2 +vthf=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +vthf=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +vthf=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +vthf=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +vthf=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +vthf=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +vthf=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +vthf=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o +vthf=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ch3o2 +vthf=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 c2h3 +vthf=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 o2 +edhf=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +edhf=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +edhf=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +edhf=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +edhf=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +edhf=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +edhf=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +edhf=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 c2h3 +edhf=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 ch3o2 +edhf=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 ch3o +edhf=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ! !additional abstraction ! o2 +c5h81-4=>ho2 +c3h5-a+c2h2 .5111e+07 2.0 40722.49 h +c5h81-4=>h2 +c3h5-a+c2h2 .6435e+07 2.0 3950.57 oh +c5h81-4=>h2o +c3h5-a+c2h2 .1198e+07 2.0 -2259.83 o +c5h81-4=>oh +c3h5-a+c2h2 .4060e+07 2.0 2579.54 ho2 +c5h81-4=>h2o2 +c3h5-a+c2h2 .1616e+06 2.0 11887.73 hco +c5h81-4=>ch2o +c3h5-a+c2h2 .3789e+06 2.0 12360.44 ch3 +c5h81-4=>ch4 +c3h5-a+c2h2 .1171e+06 2.0 4871.29 c2h5 +c5h81-4=>c2h6 +c3h5-a+c2h2 .6895e+05 2.0 7658.07 ch3o +c5h81-4=>ch3oh +c3h5-a+c2h2 .1284e+06 2.0 1583.56 ch3o2 +c5h81-4=>ch3o2h+c3h5-a+c2h2 .2283e+06 2.0 12360.44 c2h3 +c5h81-4=>c2h4 +c3h5-a+c2h2 .2035e+06 2.0 4871.29 ! !!addition on diolefin ! c6h101-3+h<=>c6h111-3 2.50e+11 0.50 2620 c6h101-3+h<=>c6h111-4 2.50e+11 0.50 2620 c6h101-3+h<=>c6h113-1 4.25e+11 0.50 1230 c6h101-3+h<=>c6h112-4 2.50e+11 0.50 2620 ! c6h101-4+h<=>c6h111-4 2.50e+11 0.50 2620 c6h101-4+h<=>c6h111-5 2.50e+11 0.50 2620 c6h101-4+h<=>c6h112-5 4.25e+11 0.50 1230 c6h101-4+h<=>c6h112-6 2.50e+11 0.50 2620 ! c6h101-5+h<=>c6h111-5 4.25e+11 0.50 1230 c6h101-5+h<=>c6h111-6 2.50e+11 0.50 2620 ! ! c6h101-3+o=>c5h91-3+hco 2.000e+11 0.00 -1.050e+03 c6h101-4+o=>c5h92-5+hco 2.000e+11 0.00 -1.050e+03 c6h101-5+o=>c5h91-5+hco 2.000e+11 0.00 -1.050e+03 ! ! c6h101-3 + oh=>c5h91-3+ch2o 1.000e+12 0.000 0.000e+00 c6h101-4 + oh=>c5h92-5+ch2o 1.000e+12 0.000 0.000e+00 c6h101-5 + oh=>c5h91-5+ch2o 1.000e+12 0.000 0.000e+00 ! ! ! c6h101-3 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 c6h101-4 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 c6h101-5 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 ! ! c6h101-3+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 c6h101-4+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 c6h101-5+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 ! c6h101-3+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 c6h101-4+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 c6h101-5+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 ! ! ! ! ! ! !!!!!!c 8-c16 n-alkane mechanism from LLNL with only high temperature rxns (classes 1-9)!!!!!!!!!!! ! ! ! ! ! unimolecular reactions of alkanes ! ! Class 1 ! ! decomposition and recombination reactions ! ! c8h17-1+h = nc8h18 1.00e+14 0. 0. c8h17-2+h = nc8h18 1.00e+14 0. 0. c8h17-3+h = nc8h18 1.00e+14 0. 0. c8h17-4+h = nc8h18 1.00e+14 0. 0. ! c7h15-1+ch3 = nc8h18 1.00e+13 0. 0. c6h13-1+c2h5 = nc8h18 8.00e+12 0. 0. c5h11-1+nc3h7 = nc8h18 8.00e+12 0. 0. pc4h9+pc4h9 = nc8h18 8.00e+12 0. 0. ! ! ! Class 2 ! ! h atom abstraction ! ! nc8h18+h = c8h17-1+h2 1.330E+06 2.54 6.756E+03 nc8h18+h = c8h17-2+h2 2.600E+06 2.40 4.471E+03 nc8h18+h = c8h17-3+h2 2.600E+06 2.40 4.471E+03 nc8h18+h = c8h17-4+h2 2.600E+06 2.40 4.471E+03 ! nc8h18 + oh = c8h17-1+h2o 1.056E+10 0.97 1.590E+03 nc8h18 + oh = c8h17-2+h2o 9.400E+07 1.61 -3.500E+01 nc8h18 + oh = c8h17-3+h2o 9.400E+07 1.61 -3.500E+01 nc8h18 + oh = c8h17-4+h2o 9.400E+07 1.61 -3.500E+01 ! nc8h18+o = c8h17-1 + oh 1.960E+06 2.43 4.750E+03 nc8h18+o = c8h17-2 + oh 1.100E+06 2.45 2.830E+03 nc8h18+o = c8h17-3 + oh 1.100E+06 2.45 2.830E+03 nc8h18+o = c8h17-4 + oh 1.100E+06 2.45 2.830E+03 ! nc8h18+ho2 = c8h17-1+h2o2 4.080e+01 3.59 1.716e+04 nc8h18+ho2 = c8h17-2+h2o2 1.264e+02 3.37 1.372e+04 nc8h18+ho2 = c8h17-3+h2o2 1.264e+02 3.37 1.372e+04 nc8h18+ho2 = c8h17-4+h2o2 1.264e+02 3.37 1.372e+04 ! nc8h18+ch3 = c8h17-1+ch4 9.060E-01 3.65 7.154E+03 nc8h18+ch3 = c8h17-2+ch4 3.020E+00 3.46 5.481E+03 nc8h18+ch3 = c8h17-3+ch4 3.020E+00 3.46 5.481E+03 nc8h18+ch3 = c8h17-4+ch4 3.020E+00 3.46 5.481E+03 ! nc8h18 + o2 = c8h17-1+ho2 6.000E+13 0.00 5.229E+04 nc8h18 + o2 = c8h17-2+ho2 4.000E+13 0.00 4.964E+04 nc8h18 + o2 = c8h17-3+ho2 4.000E+13 0.00 4.964E+04 nc8h18 + o2 = c8h17-4+ho2 4.000E+13 0.00 4.964E+04 ! nc8h18+c2h3 = c8h17-1+c2h4 1.000E+12 0.00 1.800E+04 nc8h18+c2h3 = c8h17-2+c2h4 8.000E+11 0.00 1.680E+04 nc8h18+c2h3 = c8h17-3+c2h4 8.000E+11 0.00 1.680E+04 nc8h18+c2h3 = c8h17-4+c2h4 8.000E+11 0.00 1.680E+04 ! nc8h18+c2h5 = c8h17-1+c2h6 1.000E+11 0.00 1.340E+04 nc8h18+c2h5 = c8h17-2+c2h6 1.000E+11 0.00 1.040E+04 nc8h18+c2h5 = c8h17-3+c2h6 1.000E+11 0.00 1.040E+04 nc8h18+c2h5 = c8h17-4+c2h6 1.000E+11 0.00 1.040E+04 ! ! nc8h18+ch3o<=>c8h17-1+ch3oh 4.340e+11 0.00 6.458e+03 nc8h18+ch3o<=>c8h17-2+ch3oh 2.900e+11 0.00 4.571e+03 nc8h18+ch3o<=>c8h17-3+ch3oh 2.900e+11 0.00 4.571e+03 nc8h18+ch3o<=>c8h17-4+ch3oh 2.900e+11 0.00 4.571e+03 ! ! nc8h18+ch3o2<=>c8h17-1+ch3o2h 1.386e+00 3.97 1.828e+04 nc8h18+ch3o2<=>c8h17-2+ch3o2h 2.037e+01 3.58 1.481e+04 nc8h18+ch3o2<=>c8h17-3+ch3o2h 2.037e+01 3.58 1.481e+04 nc8h18+ch3o2<=>c8h17-4+ch3o2h 2.037e+01 3.58 1.481e+04 ! ! ! nc8h18 + o2cho<=>c8h17-1+ho2cho 1.680e+13 0.00 2.044e+04 nc8h18 + o2cho<=>c8h17-2+ho2cho 1.120e+13 0.00 1.769e+04 nc8h18 + o2cho<=>c8h17-3+ho2cho 1.120e+13 0.00 1.769e+04 nc8h18 + o2cho<=>c8h17-4+ho2cho 1.120e+13 0.00 1.769e+04 ! ! ! Class 3 ! ! alkyl decomposition ! ! c8h17-1 = c2h4+c6h13-1 9.12E+11 0.31 27238.0 h+c8h16-1 = c8h17-1 2.500e+11 0.51 2620.0 ! c8h17-2 = c3h6+c5h11-1 6.00E+11 0.50 27650.0 h+c8h16-1 = c8h17-2 4.240e+11 0.51 1230.0 h+c8h16-2 = c8h17-2 2.500e+11 0.51 2620.0 ! c8h17-3 = c4h8-1+pc4h9 6.00E+11 0.50 27650.0 c8h17-3 = ch3+c7h14-1 9.55E+09 1.08 29388.0 h+c8h16-2 = c8h17-3 2.500e+11 0.51 2620.0 h+c8h16-3 = c8h17-3 2.500e+11 0.51 2620.0 ! c8h17-4 = c5h10-1+nc3h7 6.00E+11 0.50 27650.0 c8h17-4 = c2h5+c6h12-1 6.00E+11 0.50 27650.0 h+c8h16-3 = c8h17-4 2.500e+11 0.51 2620.0 h+c8h16-4 = c8h17-4 2.500e+11 0.51 2620.0 ! ! ! Class 4 alkyl radical isomerization ! ! include 3, 4, 5, and 6 membered transition state rings ! ! c8h17-1 = c8h17-3 2.96E+00 3.08 1.102E+04 !Tsang 2009 1-octyl=3-octyl 7m p-s c8h17-1 = c8h17-4 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s DUPLICATE c8h17-1 = c8h17-4 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s DUPLICATE c8h17-2 = c8h17-4 1.42E+00 3.32 1.614E+04 !Tsang 2009 2-octyl=4octyl, 5m s-s c8h17-2 = c8h17-3 1.86E+00 3.27 1.320E+04 !Tsang 2009 2-octyl=3octyl, 6m s-s ! ! ! class 5 h atom abstraction from olefins ! !! ! c8h16-1+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-2+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-3+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-4+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 ! c8h16-1 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-2 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-3 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-4 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 ! c8h16-1+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-2+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-3+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-4+h = c8h15+h2 1.040E+07 2.40 4.471E+03 ! c8h16-1+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-2+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-3+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-4+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 ! c8h16-1+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-2+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-3+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-4+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 ! ! ! ! ! Class 6 addition reactions with olefins ! c8h16-1 + oh = ch2o+c7h15-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-1 + oh = ch3cho+c6h13-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-1+o = ch2cho+c6h13-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2 + oh = ch3cho+c6h13-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2 + oh = c2h5cho+c5h11-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2+o = ch3cho+c6h12-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3 + oh = c2h5cho+c5h11-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3 + oh = nc3h7cho+pc4h9 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3+o = c2h5cho+c5h10-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-4 + oh = nc3h7cho+pc4h9 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-4+o = nc3h7cho+c4h8-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! class 7 ! ! ! ! c8h15+ho2<=>ac3h5cho+pc4h9 + oh 9.640e+12 0.00 0.000e+00 c8h15+ch3o2<=>ac3h5cho+pc4h9+ch3o 9.640e+12 0.00 0.000e+00 c8h15+c2h5o2<=>ac3h5cho+pc4h9+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! ! Class 8 alkenyl radical decomposition ! global reactions ! c8h15 = c2h3+c6h12-1 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c3h5-a+c5h10-1 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c4h71-1+c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c5h91-5+c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c6h111-6+c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! Class 9 olefin decomposition ! ! c8h16-1 = c5h11-1+c3h5-a 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-2 = c4h71-1+pc4h9 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-3 = c5h91-5+nc3h7 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-4 = c6h111-6+c2h5 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! class 10 retroene reactions ! ! c8h16-1 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c8h16-2 = c4h8-1 + c4h8-1 3.98e+12 0 57629 ! ! c8h16-3 = c3h6 + c5h10-1 3.98e+12 0 57629 ! c8h16-4 = c2h4 + c6h12-1 3.98e+12 0 57629 ! ! ! ! ! Class 11 ! ! addition of o2 to alkyl radicals ! c8h17-1 + o2 = c8h17o2-1 4.520E+12 0.00 0.000E+00 c8h17-2 + o2 = c8h17o2-2 7.540E+12 0.00 0.000E+00 c8h17-3 + o2 = c8h17o2-3 7.540E+12 0.00 0.000E+00 c8h17-4 + o2 = c8h17o2-4 7.540E+12 0.00 0.000E+00 ! ! ! Class 12 ! ! r + ro2 = ro + ro ! ! c8h17-1+c8h17o2-1 = c8h17o-1+c8h17o-1 7.000E+12 0.00 -1.000E+03 c8h17-1+c8h17o2-2 = c8h17o-1+c8h17o-2 7.000E+12 0.00 -1.000E+03 c8h17-1+c8h17o2-3 = c8h17o-1+c8h17o-3 7.000E+12 0.00 -1.000E+03 c8h17-1+c8h17o2-4 = c8h17o-1+c8h17o-4 7.000E+12 0.00 -1.000E+03 c8h17-2+c8h17o2-1 = c8h17o-2+c8h17o-1 7.000E+12 0.00 -1.000E+03 c8h17-2+c8h17o2-2 = c8h17o-2+c8h17o-2 7.000E+12 0.00 -1.000E+03 c8h17-2+c8h17o2-3 = c8h17o-2+c8h17o-3 7.000E+12 0.00 -1.000E+03 c8h17-2+c8h17o2-4 = c8h17o-2+c8h17o-4 7.000E+12 0.00 -1.000E+03 c8h17-3+c8h17o2-1 = c8h17o-3+c8h17o-1 7.000E+12 0.00 -1.000E+03 c8h17-3+c8h17o2-2 = c8h17o-3+c8h17o-2 7.000E+12 0.00 -1.000E+03 c8h17-3+c8h17o2-3 = c8h17o-3+c8h17o-3 7.000E+12 0.00 -1.000E+03 c8h17-3+c8h17o2-4 = c8h17o-3+c8h17o-4 7.000E+12 0.00 -1.000E+03 c8h17-4+c8h17o2-1 = c8h17o-4+c8h17o-1 7.000E+12 0.00 -1.000E+03 c8h17-4+c8h17o2-2 = c8h17o-4+c8h17o-2 7.000E+12 0.00 -1.000E+03 c8h17-4+c8h17o2-3 = c8h17o-4+c8h17o-3 7.000E+12 0.00 -1.000E+03 c8h17-4+c8h17o2-4 = c8h17o-4+c8h17o-4 7.000E+12 0.00 -1.000E+03 ! ! ! ! Class 13 ! ! r + ho2 = ro + oh reactions ! c8h17-1+ho2 = c8h17o-1 + oh 7.000E+12 0.00 -1.000E+03 c8h17-2+ho2 = c8h17o-2 + oh 7.000E+12 0.00 -1.000E+03 c8h17-3+ho2 = c8h17o-3 + oh 7.000E+12 0.00 -1.000E+03 c8h17-4+ho2 = c8h17o-4 + oh 7.000E+12 0.00 -1.000E+03 ! ! Class 14 ! ! r + ch3o2 = ro + oh reactions ! c8h17-1+ch3o2 = c8h17o-1+ch3o 7.000E+12 0.00 -1.000E+03 c8h17-2+ch3o2 = c8h17o-2+ch3o 7.000E+12 0.00 -1.000E+03 c8h17-3+ch3o2 = c8h17o-3+ch3o 7.000E+12 0.00 -1.000E+03 c8h17-4+ch3o2 = c8h17o-4+ch3o 7.000E+12 0.00 -1.000E+03 ! ! Class 15 ! ! ro2 isomerization ! includes transition state rings of 5, 6, 7, and 8 atoms ! c8h17o2-1 = c8ooh1-2 2.000E+11 0.00 2.645E+04 c8h17o2-1 = c8ooh1-3 2.500E+10 0.00 2.045E+04 c8h17o2-1 = c8ooh1-4 3.125E+09 0.00 1.865E+04 c8h17o2-1 = c8ooh1-5 3.906E+08 0.00 2.165E+04 c8h17o2-2 = c8ooh2-1 3.000E+11 0.00 2.900E+04 c8h17o2-2 = c8ooh2-3 2.000E+11 0.00 2.645E+04 c8h17o2-2 = c8ooh2-4 2.500E+10 0.00 2.045E+04 c8h17o2-2 = c8ooh2-5 3.125E+09 0.00 1.865E+04 c8h17o2-2 = c8ooh2-6 3.906E+08 0.00 2.165E+04 c8h17o2-3 = c8ooh3-1 3.750E+10 0.00 2.400E+04 c8h17o2-3 = c8ooh3-2 2.000E+11 0.00 2.645E+04 c8h17o2-3 = c8ooh3-4 2.000E+11 0.00 2.645E+04 c8h17o2-3 = c8ooh3-5 2.500E+10 0.00 2.045E+04 c8h17o2-3 = c8ooh3-6 3.125E+09 0.00 1.865E+04 c8h17o2-3 = c8ooh3-7 3.906E+08 0.00 2.165E+04 c8h17o2-4 = c8ooh4-1 4.680E+09 0.00 2.195E+04 c8h17o2-4 = c8ooh4-2 2.500E+10 0.00 2.045E+04 c8h17o2-4 = c8ooh4-3 2.000E+11 0.00 2.645E+04 c8h17o2-4 = c8ooh4-5 2.000E+11 0.00 2.645E+04 c8h17o2-4 = c8ooh4-6 2.500E+10 0.00 2.045E+04 c8h17o2-4 = c8ooh4-7 3.125E+09 0.00 1.865E+04 c8h17o2-4 = c8ooh4-8 5.860E+08 0.00 2.515E+04 ! ! ! ! class 16 Ro2=ho2+alkene direct elimination of ho2 and alkene from Ro2 ! ! ! ! ! c8h17o2-1<=>c8h16-1+ho2 4.308e+36 -7.50 3.951e+04 c8h17o2-2<=>c8h16-1+ho2 5.920e+42 -9.43 4.153e+04 c8h17o2-2<=>c8h16-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17o2-3<=>c8h16-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17o2-3<=>c8h16-3+ho2 4.308e+36 -7.50 3.951e+04 c8h17o2-4<=>c8h16-3+ho2 4.308e+36 -7.50 3.951e+04 c8h17o2-4<=>c8h16-4+ho2 4.308e+36 -7.50 3.951e+04 ! ! ! ! ! Class 17 ro2 + ho2 = rooh + o2 ! ! ! c8h17o2-1+ho2 = c8h17o2h-1 + o2 1.750E+10 0.00 -3.275E+03 c8h17o2-2+ho2 = c8h17o2h-2 + o2 1.750E+10 0.00 -3.275E+03 c8h17o2-3+ho2 = c8h17o2h-3 + o2 1.750E+10 0.00 -3.275E+03 c8h17o2-4+ho2 = c8h17o2h-4 + o2 1.750E+10 0.00 -3.275E+03 ! ! ! Class 18 ro2 + h2o2 = rooh + ho2 ! ! c8h17o2-1+h2o2 = c8h17o2h-1+ho2 2.400E+12 0.00 1.000E+04 c8h17o2-2+h2o2 = c8h17o2h-2+ho2 2.400E+12 0.00 1.000E+04 c8h17o2-3+h2o2 = c8h17o2h-3+ho2 2.400E+12 0.00 1.000E+04 c8h17o2-4+h2o2 = c8h17o2h-4+ho2 2.400E+12 0.00 1.000E+04 ! ! ! ! Class 19 ro2 + ch3o2 = ro + ch3o + o2 ! ! ! c8h17o2-1+ch3o2 = c8h17o-1+ch3o + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-2+ch3o2 = c8h17o-2+ch3o + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-3+ch3o2 = c8h17o-3+ch3o + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-4+ch3o2 = c8h17o-4+ch3o + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! Class 20 ! ! ro2 + ro2 = ro + ro + o2 ! ! c8h17o2-1 + c8h17o2-1 = c8h17o-1 + c8h17o-1 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-1 + c8h17o2-2 = c8h17o-1 + c8h17o-2 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-1 + c8h17o2-3 = c8h17o-1 + c8h17o-3 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-1 + c8h17o2-4 = c8h17o-1 + c8h17o-4 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / ! c8h17o2-2 + c8h17o2-2 = c8h17o-2 + c8h17o-2 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-2 + c8h17o2-3 = c8h17o-2 + c8h17o-3 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-2 + c8h17o2-4 = c8h17o-2 + c8h17o-4 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / ! c8h17o2-3 + c8h17o2-3 = c8h17o-3 + c8h17o-3 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h17o2-3 + c8h17o2-4 = c8h17o-3 + c8h17o-4 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / ! c8h17o2-4 + c8h17o2-4 = c8h17o-4 + c8h17o-4 + o2 1.400E+16 -1.61 1.860E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! Class 21 ! ! rooh = ro + oh ! c8h17o2h-1 = c8h17o-1 + oh 1.000e+16 0.00 3.900e+04 c8h17o2h-2 = c8h17o-2 + oh 1.000e+16 0.00 3.900e+04 c8h17o2h-3 = c8h17o-3 + oh 1.000e+16 0.00 3.900e+04 c8h17o2h-4 = c8h17o-4 + oh 1.000e+16 0.00 3.900e+04 ! ! ! ! ! class 22 alkoxy radical decomposition ! ! ch2o+c7h15-1 = c8h17o-1 1.00e+11 0. 11900. ch3cho+c6h13-1 = c8h17o-2 1.00e+11 0. 11900. c2h5cho+c5h11-1 = c8h17o-3 1.00e+11 0. 11900. nc3h7cho+pc4h9 = c8h17o-4 1.00e+11 0. 11900. ! ! ! ! ! Class 23 ! ! qooh = cyclic ether + oh ! ! ! c8ooh1-2 = c8o1-2 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-1 = c8o1-2 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-3 = c8o2-3 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-2 = c8o2-3 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-4 = c8o3-4 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-3 = c8o3-4 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-5 = c8o4-5 + oh 6.000E+11 0.00 2.200E+04 rev / 0.000E+00 0.00 0.000E+00 / ! ! c8ooh1-3 = c8o1-3 + oh 7.500E+10 0.00 1.525E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-1 = c8o1-3 + oh 7.500E+10 0.00 1.525E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-4 = c8o2-4 + oh 7.500E+10 0.00 1.525E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-2 = c8o2-4 + oh 7.500E+10 0.00 1.525E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-5 = c8o3-5 + oh 7.500E+10 0.00 1.525E+04 rev / 0.000E+00 0.00 0.000E+00 / ! c8ooh1-4 = c8o1-4 + oh 9.375E+09 0.00 7.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-1 = c8o1-4 + oh 9.375E+09 0.00 7.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-5 = c8o2-5 + oh 9.375E+09 0.00 7.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-7 = c8o2-5 + oh 9.375E+09 0.00 7.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-6 = c8o3-6 + oh 9.375E+09 0.00 7.000E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! c8ooh1-5 = c8o1-5 + oh 1.172E+09 0.00 1.800E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-8 = c8o1-5 + oh 1.172E+09 0.00 1.800E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-6 = c8o2-6 + oh 1.172E+09 0.00 1.800E+03 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-7 = c8o2-6 + oh 1.172E+09 0.00 1.800E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! Class 24 ! ! qooh = q + ho2 ! ! ! c8h16-1+ho2 = c8ooh1-2 1.00e+11 0.00 1.19e+04 c8h16-1+ho2 = c8ooh2-1 1.00e+11 0.00 1.19e+04 c8h16-2+ho2 = c8ooh2-3 1.00e+11 0.00 1.19e+04 c8h16-2+ho2 = c8ooh3-2 1.00e+11 0.00 1.19e+04 c8h16-3+ho2 = c8ooh3-4 1.00e+11 0.00 1.19e+04 c8h16-3+ho2 = c8ooh4-3 1.00e+11 0.00 1.19e+04 c8h16-4+ho2 = c8ooh4-5 1.00e+11 0.00 1.19e+04 ! ! ! ! ! ! ! Class 25 beta decomposition of rooh ! c8ooh1-3 = oh+ch2o+c7h14-1 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh2-4 = oh+ch3cho+c6h12-1 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-1 = oh+c2h4+nc5h11cho 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh3-5 = oh+c2h5cho+c5h10-1 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-2 = oh+c3h6+nc4h9cho 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ooh4-6 = oh+nc3h7cho+c4h8-1 1.00E+13 0.00 3.0E+04 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! Class 26 qooh + o2 = o2qooh ! ! addition of second o2 ! ! c8ooh1-2 + o2 = c8ooh1-2o2 7.54E+12 0 0.00E+00 c8ooh1-3 + o2 = c8ooh1-3o2 7.54E+12 0 0.00E+00 c8ooh1-4 + o2 = c8ooh1-4o2 7.54E+12 0 0.00E+00 c8ooh1-5 + o2 = c8ooh1-5o2 7.54E+12 0 0.00E+00 ! c8ooh2-1 + o2 = c8ooh2-1o2 4.52E+12 0 0.00E+00 c8ooh2-3 + o2 = c8ooh2-3o2 7.54E+12 0 0.00E+00 c8ooh2-4 + o2 = c8ooh2-4o2 7.54E+12 0 0.00E+00 c8ooh2-5 + o2 = c8ooh2-5o2 7.54E+12 0 0.00E+00 c8ooh2-6 + o2 = c8ooh2-6o2 7.54E+12 0 0.00E+00 ! c8ooh3-1 + o2 = c8ooh3-1o2 4.52E+12 0 0.00E+00 c8ooh3-2 + o2 = c8ooh3-2o2 7.54E+12 0 0.00E+00 c8ooh3-4 + o2 = c8ooh3-4o2 7.54E+12 0 0.00E+00 c8ooh3-5 + o2 = c8ooh3-5o2 7.54E+12 0 0.00E+00 c8ooh3-6 + o2 = c8ooh3-6o2 7.54E+12 0 0.00E+00 c8ooh3-7 + o2 = c8ooh3-7o2 7.54E+12 0 0.00E+00 ! c8ooh4-1 + o2 = c8ooh4-1o2 4.52E+12 0 0.00E+00 c8ooh4-2 + o2 = c8ooh4-2o2 7.54E+12 0 0.00E+00 c8ooh4-3 + o2 = c8ooh4-3o2 7.54E+12 0 0.00E+00 c8ooh4-5 + o2 = c8ooh4-5o2 7.54E+12 0 0.00E+00 c8ooh4-6 + o2 = c8ooh4-6o2 7.54E+12 0 0.00E+00 c8ooh4-7 + o2 = c8ooh4-7o2 7.54E+12 0 0.00E+00 c8ooh4-8 + o2 = c8ooh4-8o2 4.52E+12 0 0.00E+00 ! ! ! ! Class 27 production of ketohydroperoxides ! ! alternative pathways not yet included ! c8ooh1-2o2 = c8ket1-2 + oh 2.000E+11 0.00 2.600E+04 c8ooh1-3o2 = c8ket1-3 + oh 2.500E+10 0.00 2.100E+04 c8ooh1-4o2 = c8ket1-4 + oh 3.125E+09 0.00 1.895E+04 c8ooh1-5o2 = c8ket1-5 + oh 3.906E+08 0.00 2.215E+04 ! c8ooh2-1o2 = c8ket2-1 + oh 1.000E+11 0.00 2.345E+04 c8ooh2-3o2 = c8ket2-3 + oh 1.000E+11 0.00 2.345E+04 c8ooh2-4o2 = c8ket2-4 + oh 1.250E+10 0.00 1.745E+04 c8ooh2-5o2 = c8ket2-5 + oh 1.563E+09 0.00 1.565E+04 c8ooh2-6o2 = c8ket2-6 + oh 1.953E+08 0.00 1.865E+04 ! c8ooh3-1o2 = c8ket3-1 + oh 1.250E+10 0.00 1.745E+04 c8ooh3-2o2 = c8ket3-2 + oh 1.000E+11 0.00 2.345E+04 c8ooh3-4o2 = c8ket3-4 + oh 1.000E+11 0.00 2.345E+04 c8ooh3-5o2 = c8ket3-5 + oh 1.250E+10 0.00 1.745E+04 c8ooh3-6o2 = c8ket3-6 + oh 1.563E+09 0.00 1.565E+04 c8ooh3-7o2 = c8ket3-7 + oh 1.953E+08 0.00 1.865E+04 ! c8ooh4-1o2 = c8ket4-1 + oh 1.563E+09 0.00 1.565E+04 c8ooh4-2o2 = c8ket4-2 + oh 1.250E+10 0.00 1.745E+04 c8ooh4-3o2 = c8ket4-3 + oh 1.000E+11 0.00 2.345E+04 c8ooh4-5o2 = c8ket4-5 + oh 1.000E+11 0.00 2.345E+04 c8ooh4-6o2 = c8ket4-6 + oh 1.250E+10 0.00 1.745E+04 c8ooh4-7o2 = c8ket4-7 + oh 1.563E+09 0.00 1.565E+04 c8ooh4-8o2 = c8ket4-8 + oh 1.953E+08 0.00 1.865E+04 ! ! ! ! Class 28 ketohydroperoxide decomp. ! ! c8ket1-2 = oh+hco+nc6h13cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket1-3 = oh+ch2cho+nc5h11cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket1-4 = oh+ch2ch2cho+nc4h9cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket1-5 = oh+c3h6cho-1+nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket2-1 = oh+ch2o+nc6h13co 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket2-3 = oh+ch3co+nc5h11cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket2-4 = oh+ch3coch2+nc4h9cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket2-5 = oh+ch2ch2coch3+nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket2-6 = oh+c3h6coch3-1+c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-1 = oh+ch2o+c5h11coch2 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-2 = oh+ch3cho+nc5h11co 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-4 = oh+c2h5co+nc4h9cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-5 = oh+c2h5coch2+nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-6 = oh+c2h5coc2h4p+c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket3-7 = oh+c3h6coc2h5-1+ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-1 = oh+ch2o+c4coc2h4p 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-2 = oh+ch3cho+nc4h9coch2 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-3 = oh+c2h5cho+nc4h9co 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-5 = oh+nc3h7co+nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-6 = oh+nc3h7coch2+c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-7 = oh+nc3h7coc2h4p+ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / c8ket4-8 = oh+c3coc3h6p+ch2o 1.000E+16 0.00 3.900E+04 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! ! Class 29 reactions of cyclic ethers ! ! c8o1-2 + oh = c2h3cho+c5h11-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-2 + oh = ch2co+c6h13-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-3 + oh = c7h14-1+hco+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-3 + oh = c2h4+nc5h11co+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-4 + oh = ch2cho+c6h12-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-4 + oh = c2h4+nc4h9coch2+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-5 + oh = ch2ch2cho+c5h10-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o1-5 + oh = c2h4+nc3h7coc2h4p+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-3 + oh = c2h3coch3+pc4h9+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-3 + oh = ch3chco+c5h11-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-4 + oh = ch3co+c6h12-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-4 + oh = c3h6+nc4h9co+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-5 + oh = ch3coch2+c5h10-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-5 + oh = c3h6+nc3h7coch2+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-6 + oh = ch2ch2coch3+c4h8-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o2-6 + oh = c3h6+c2h5coc2h4p+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o3-4 + oh = c2h5coc2h3+nc3h7+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o3-4 + oh = c2h5chco+pc4h9+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o3-5 + oh = c2h5co+c5h10-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o3-5 + oh = c4h8-1+nc3h7co+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o3-6 + oh = c2h5coch2+c4h8-1+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o4-5 + oh = nc3h7coc2h3+c2h5+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / c8o4-5 + oh = nc3h7chco+nc3h7+h2o 2.50e+12 0.00 0.00 rev / 0.00 0.00 0.00 / ! c8o1-2+ho2 = c2h3cho+c5h11-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-2+ho2 = ch2co+c6h13-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-3+ho2 = c7h14-1+hco+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-3+ho2 = c2h4+nc5h11co+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-4+ho2 = ch2cho+c6h12-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-4+ho2 = c2h4+nc4h9coch2+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-5+ho2 = ch2ch2cho+c5h10-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o1-5+ho2 = c2h4+nc3h7coc2h4p+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-3+ho2 = c2h3coch3+pc4h9+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-3+ho2 = ch3chco+c5h11-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-4+ho2 = ch3co+c6h12-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-4+ho2 = c3h6+nc4h9co+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-5+ho2 = ch3coch2+c5h10-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-5+ho2 = c3h6+nc3h7coch2+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-6+ho2 = ch2ch2coch3+c4h8-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o2-6+ho2 = c3h6+c2h5coc2h4p+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o3-4+ho2 = c2h5coc2h3+nc3h7+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o3-4+ho2 = c2h5chco+pc4h9+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o3-5+ho2 = c2h5co+c5h10-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o3-5+ho2 = c4h8-1+nc3h7co+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o3-6+ho2 = c2h5coch2+c4h8-1+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o4-5+ho2 = nc3h7coc2h3+c2h5+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / c8o4-5+ho2 = nc3h7chco+nc3h7+h2o2 5.000E+12 0.00 1.770E+04 rev / 0.00 0.00 0.00 / ! ! ! ! class 30 miscellaneous reactions ! ! large aldehydes ! simplified consumption mechanisms for aldehydes larger than nc5 ! ! ! c5h11coc2h3+h = h2+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3 + oh = h2o+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3+o = oh+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3+ho2 = h2o2+c5h10-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / c5h11coc2h3+h = h2+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3 + oh = h2o+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3+o = oh+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11coc2h3+ho2 = h2o2+nc4h9chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! c6h13coc2h3+h = h2+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3 + oh = h2o+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3+o = oh+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3+ho2 = h2o2+c6h12-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / c6h13coc2h3+h = h2+c5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3 + oh = h2o+c5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3+o = oh+c5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13coc2h3+ho2 = h2o2+c5h11chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! c5h11chco+h = h2+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11chco+o = oh+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11chco + oh = h2o+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11chco+ho2 = h2o2+c5h10-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / c5h11chco+h = c6h13-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11chco+o = c6h12-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c5h11chco + oh = c6h13-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! c6h13chco+h = h2+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13chco+o = oh+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13chco + oh = h2o+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13chco+ho2 = h2o2+c6h12-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / c6h13chco+h = c7h15-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13chco+o = c7h14-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c6h13chco + oh = c7h15-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! c7h15chco+h = h2+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c7h15chco+o = oh+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c7h15chco + oh = h2o+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c7h15chco+ho2 = h2o2+c7h14-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / c7h15chco+h = c8h17-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c7h15chco+o = c8h16-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / c7h15chco + oh = c8h17-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! ! decomposition of large radicals ! c8h17coch2 = c8h17-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / c7h15coch2 = c7h15-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / c6h13coch2 = c6h13-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / c5h11coch2 = c5h11-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ! c8coc2h4p = nc8h17co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c7coc2h4p = nc7h15co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c6coc2h4p = nc6h13co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c5coc2h4p = nc5h11co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c4coc2h4p = nc4h9co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! c8coc3h6p = c8h17coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c7coc3h6p = c7h15coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c6coc3h6p = c6h13coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c5coc3h6p = c5h11coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c4coc3h6p = nc4h9coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / c3coc3h6p = nc3h7coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! ! ! !!!!!!!!!!c8-c20 2-methylalkane mechanism with low temperature and high temp chemistry!!!!!!!!! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 1 unimolecular fuel decomposition ! c7h15-2a + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2b + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2c + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2d + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2e + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2f + h = c7h16-2 1.000e+14 0.00 0.000 ! ch3 + c6h13-2 = c7h16-2 1.000e+13 0.00 0.000 ic3h7 + pc4h9 = c7h16-2 8.000e+12 0.00 0.000 ic4h9 + nc3h7 = c7h16-2 8.000e+12 0.00 0.000 dc5h11 + c2h5 = c7h16-2 8.000e+12 0.00 0.000 ec6h13 + ch3 = c7h16-2 1.000e+13 0.00 0.000 ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! class 1 unimolecular fuel decomposition ! c8h17-2a + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2b + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2c + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2d + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2e + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2f + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2g + h = c8h18-2 1.000e+14 0.00 0.000 ! ch3 + c7h15-2 = c8h18-2 1.000e+13 0.00 0.000 ic3h7 + c5h11-1 = c8h18-2 8.000e+12 0.00 0.000 ic4h9 + pc4h9 = c8h18-2 8.000e+12 0.00 0.000 dc5h11 + nc3h7 = c8h18-2 8.000e+12 0.00 0.000 ec6h13 + c2h5 = c8h18-2 8.000e+12 0.00 0.000 c7h15-2f + ch3 = c8h18-2 1.000e+13 0.00 0.000 ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! class 2 h atom abstraction from fuel c7h16-2 + h = c7h15-2a + h2 1.330e+06 2.54 6.756e+03 c7h16-2 + h = c7h15-2b + h2 6.020e+05 2.40 2.583e+03 c7h16-2 + h = c7h15-2c + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2d + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2e + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2f + h2 6.660e+05 2.54 6.756e+03 ! ! c7h16-2 + o = c7h15-2a + oh 1.960e+06 2.43 4.750e+03 c7h16-2 + o = c7h15-2b + oh 3.830e+05 2.41 1.140e+03 c7h16-2 + o = c7h15-2c + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2d + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2e + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2f + oh 9.810e+05 2.43 4.750e+03 ! ! c7h16-2 + oh = c7h15-2a + h2o 1.056e+10 0.97 1.590e+03 c7h16-2 + oh = c7h15-2b + h2o 5.730e+10 0.51 6.300e+01 c7h16-2 + oh = c7h15-2c + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2d + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2e + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2f + h2o 5.280e+09 0.97 1.590e+03 ! ! c7h16-2 + ch3 = c7h15-2a + ch4 9.040e-01 3.65 7.154e+03 c7h16-2 + ch3 = c7h15-2b + ch4 6.010e-10 6.36 8.930e+02 c7h16-2 + ch3 = c7h15-2c + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2d + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2e + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2f + ch4 4.520e-01 3.65 7.154e+03 ! ! c7h16-2 + ho2 = c7h15-2a + h2o2 4.080e+01 3.59 1.716e+04 c7h16-2 + ho2 = c7h15-2b + h2o2 6.500e+02 3.01 1.209e+04 c7h16-2 + ho2 = c7h15-2c + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2d + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2e + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2f + h2o2 2.040e+01 3.59 1.716e+04 ! ! c7h16-2 + ch3o = c7h15-2a + ch3oh 4.338e+11 0.00 6.548e+03 c7h16-2 + ch3o = c7h15-2b + ch3oh 2.290e+10 0.00 2.873e+03 c7h16-2 + ch3o = c7h15-2c + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2d + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2e + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2f + ch3oh 2.169e+11 0.00 6.548e+03 ! ! c7h16-2 + o2 = c7h15-2a + ho2 6.000e+13 0.00 5.229e+04 c7h16-2 + o2 = c7h15-2b + ho2 1.000e+13 0.00 4.820e+04 c7h16-2 + o2 = c7h15-2c + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2d + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2e + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2f + ho2 3.000e+13 0.00 5.280e+04 ! ! c7h16-2 + c2h5 = c7h15-2a + c2h6 1.000e+11 0.00 1.340e+04 c7h16-2 + c2h5 = c7h15-2b + c2h6 1.000e+11 0.00 7.900e+03 c7h16-2 + c2h5 = c7h15-2c + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2d + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2e + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2f + c2h6 5.000e+10 0.00 1.340e+04 ! ! c7h16-2 + c2h3 = c7h15-2a + c2h4 1.000e+12 0.00 1.800e+04 c7h16-2 + c2h3 = c7h15-2b + c2h4 2.000e+11 0.00 1.430e+04 c7h16-2 + c2h3 = c7h15-2c + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2d + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2e + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2f + c2h4 5.000e+11 0.00 1.800e+04 ! ! c7h16-2 + ch3o2 = c7h15-2a + ch3o2h 1.386e+00 3.97 1.828e+04 c7h16-2 + ch3o2 = c7h15-2b + ch3o2h 2.060e+02 3.12 1.319e+04 c7h16-2 + ch3o2 = c7h15-2c + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2d + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2e + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2f + ch3o2h 6.930e-01 3.97 1.828e+04 ! ! c7h16-2 + c7h15-2a = c7h15-2b + c7h16-2 2.500e+10 0.00 7.900e+03 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2c + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.230e+04 / ! ! c7h16-2 + c7h15-2b = c7h15-2c + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 2.500e+10 0.00 7.900e+03 / ! ! c7h16-2 + c7h15-2c = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2c = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2c = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c7h16-2 + c7h15-2d = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2d = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c7h16-2 + c7h15-2e = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2a + c7h15ooh-1-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2a + c7h15ooh-2-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2a + c7h15ooh-3-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2a + c7h15ooh-4-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2a + c7h15ooh-5-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2a + c7h15ooh-6-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2b + c7h15ooh-1-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2b + c7h15ooh-2-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2b + c7h15ooh-3-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2b + c7h15ooh-4-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2b + c7h15ooh-5-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2b + c7h15ooh-6-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2c + c7h15ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2c + c7h15ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2c + c7h15ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2c + c7h15ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2c + c7h15ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2c + c7h15ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2d + c7h15ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2d + c7h15ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2d + c7h15ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2d + c7h15ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2d + c7h15ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2d + c7h15ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2e + c7h15ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2e + c7h15ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2e + c7h15ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2e + c7h15ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2e + c7h15ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2e + c7h15ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c7h16-2 + c7h15oo-1-2 = c7h15-2f + c7h15ooh-1-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-2-2 = c7h15-2f + c7h15ooh-2-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-3-2 = c7h15-2f + c7h15ooh-3-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-4-2 = c7h15-2f + c7h15ooh-4-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-5-2 = c7h15-2f + c7h15ooh-5-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c7h16-2 + c7h15oo-6-2 = c7h15-2f + c7h15ooh-6-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! class 2 h atom abstraction from fuel c8h18-2 + h = c8h17-2a + h2 1.330e+06 2.54 6.756e+03 c8h18-2 + h = c8h17-2b + h2 6.020e+05 2.40 2.583e+03 c8h18-2 + h = c8h17-2c + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2d + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2e + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2f + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2g + h2 6.660e+05 2.54 6.756e+03 ! ! c8h18-2 + o = c8h17-2a + oh 1.960e+06 2.43 4.750e+03 c8h18-2 + o = c8h17-2b + oh 3.830e+05 2.41 1.140e+03 c8h18-2 + o = c8h17-2c + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2d + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2e + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2f + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2g + oh 9.810e+05 2.43 4.750e+03 ! ! c8h18-2 + oh = c8h17-2a + h2o 1.056e+10 0.97 1.590e+03 c8h18-2 + oh = c8h17-2b + h2o 5.730e+10 0.51 6.300e+01 c8h18-2 + oh = c8h17-2c + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2d + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2e + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2f + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2g + h2o 5.280e+09 0.97 1.590e+03 ! ! c8h18-2 + ch3 = c8h17-2a + ch4 9.040e-01 3.65 7.154e+03 c8h18-2 + ch3 = c8h17-2b + ch4 6.010e-10 6.36 8.930e+02 c8h18-2 + ch3 = c8h17-2c + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2d + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2e + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2f + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2g + ch4 4.520e-01 3.65 7.154e+03 ! ! c8h18-2 + ho2 = c8h17-2a + h2o2 4.080e+01 3.59 1.716e+04 c8h18-2 + ho2 = c8h17-2b + h2o2 6.500e+02 3.01 1.209e+04 c8h18-2 + ho2 = c8h17-2c + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2d + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2e + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2f + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2g + h2o2 2.040e+01 3.59 1.716e+04 ! ! c8h18-2 + ch3o = c8h17-2a + ch3oh 4.338e+11 0.00 6.548e+03 c8h18-2 + ch3o = c8h17-2b + ch3oh 2.290e+10 0.00 2.873e+03 c8h18-2 + ch3o = c8h17-2c + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2d + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2e + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2f + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2g + ch3oh 2.169e+11 0.00 6.548e+03 ! ! c8h18-2 + o2 = c8h17-2a + ho2 6.000e+13 0.00 5.229e+04 c8h18-2 + o2 = c8h17-2b + ho2 1.000e+13 0.00 4.820e+04 c8h18-2 + o2 = c8h17-2c + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2d + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2e + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2f + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2g + ho2 3.000e+13 0.00 5.280e+04 ! ! c8h18-2 + c2h5 = c8h17-2a + c2h6 1.000e+11 0.00 1.340e+04 c8h18-2 + c2h5 = c8h17-2b + c2h6 1.000e+11 0.00 7.900e+03 c8h18-2 + c2h5 = c8h17-2c + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2d + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2e + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2f + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2g + c2h6 5.000e+10 0.00 1.340e+04 ! ! c8h18-2 + c2h3 = c8h17-2a + c2h4 1.000e+12 0.00 1.800e+04 c8h18-2 + c2h3 = c8h17-2b + c2h4 2.000e+11 0.00 1.430e+04 c8h18-2 + c2h3 = c8h17-2c + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2d + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2e + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2f + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2g + c2h4 5.000e+11 0.00 1.800e+04 ! ! c8h18-2 + ch3o2 = c8h17-2a + ch3o2h 1.386e+00 3.97 1.828e+04 c8h18-2 + ch3o2 = c8h17-2b + ch3o2h 2.060e+02 3.12 1.319e+04 c8h18-2 + ch3o2 = c8h17-2c + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2d + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2e + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2f + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2g + ch3o2h 6.930e-01 3.97 1.828e+04 ! ! c8h18-2 + c8h17-2a = c8h17-2b + c8h18-2 2.500e+10 0.00 7.900e+03 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2c + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2f + c8h18-2 5.000e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.040e+04 / c8h18-2 + c8h17-2a = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.230e+04 / ! ! c8h18-2 + c8h17-2b = c8h17-2c + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 2.500e+10 0.00 7.900e+03 / ! ! c8h18-2 + c8h17-2c = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c8h18-2 + c8h17-2d = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2d = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2d = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c8h18-2 + c8h17-2e = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2e = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! c8h18-2 + c8h17-2f = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2a + c8h17ooh-1-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2a + c8h17ooh-2-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2a + c8h17ooh-3-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2a + c8h17ooh-4-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2a + c8h17ooh-5-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2a + c8h17ooh-6-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2a + c8h17ooh-7-2 1.200e+13 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2b + c8h17ooh-1-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2b + c8h17ooh-2-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2b + c8h17ooh-3-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2b + c8h17ooh-4-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2b + c8h17ooh-5-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2b + c8h17ooh-6-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2b + c8h17ooh-7-2 2.000e+12 0.00 1.600e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2c + c8h17ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2c + c8h17ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2c + c8h17ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2c + c8h17ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2c + c8h17ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2c + c8h17ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2c + c8h17ooh-7-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2d + c8h17ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2d + c8h17ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2d + c8h17ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2d + c8h17ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2d + c8h17ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2d + c8h17ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2d + c8h17ooh-7-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2e + c8h17ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2e + c8h17ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2e + c8h17ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2e + c8h17ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2e + c8h17ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2e + c8h17ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2e + c8h17ooh-7-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2f + c8h17ooh-1-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2f + c8h17ooh-2-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2f + c8h17ooh-3-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2f + c8h17ooh-4-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2f + c8h17ooh-5-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2f + c8h17ooh-6-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2f + c8h17ooh-7-2 4.000e+12 0.00 1.770e+04 rev / 1.440e+10 0.00 1.500e+04 / ! ! c8h18-2 + c8h17oo-1-2 = c8h17-2g + c8h17ooh-1-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-2-2 = c8h17-2g + c8h17ooh-2-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-3-2 = c8h17-2g + c8h17ooh-3-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-4-2 = c8h17-2g + c8h17ooh-4-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-5-2 = c8h17-2g + c8h17ooh-5-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-6-2 = c8h17-2g + c8h17ooh-6-2 6.000e+12 0.00 2.043e+04 rev / 1.440e+10 0.00 1.500e+04 / c8h18-2 + c8h17oo-7-2 = c8h17-2g + c8h17ooh-7-2 6.000e+12 0.00 2.043e+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 3 alkyl radical decomposition ! ! c7h15-2a = pc4h9 + c3h6 3.68E+15 -0.56 31359 c7h15-2a = ch3 + c6h12-1 9.55E+14 -0.59 30592 h + c7h14-1-2 = c7h15-2a 2.500e+11 0.51 2620.0 ! c7h15-2b = nc3h7 + ic4h8 1.71E+12 0.31 26610 h + c7h14-1-2 = c7h15-2b 4.240e+11 0.51 1230.0 h + c7h14-2-2 = c7h15-2b 2.500e+11 0.51 2620.0 ! c7h15-2c = c2h5 + cc5h10 3.08E+13 0.03 28992 c7h15-2c = ch3 + c6h12-2 1.77E+13 0.11 30542 h + c7h14-2-2 = c7h15-2c 2.500e+11 0.51 2620.0 h + c7h14-3-2 = c7h15-2c 2.500e+11 0.51 2620.0 ! c7h15-2d = ic3h7 + c4h8-1 6.98E+12 0.16 24963 c7h15-2d = ch3 + dc6h12 9.55E+14 -0.59 30592 h + c7h14-3-2 = c7h15-2d 2.500e+11 0.51 2620.0 h + c7h14-4-2 = c7h15-2d 2.500e+11 0.51 2620.0 ! c7h15-2e = ic4h9 + c3h6 1.06E+13 0.07 27125 h + c7h14-4-2 = c7h15-2e 2.500e+11 0.51 2620.0 h + c7h14-5-2 = c7h15-2e 2.500e+11 0.51 2620.0 ! c7h15-2f = dc5h11 + c2h4 2.64E+15 -0.55 31136 h + c7h14-5-2 = c7h15-2f 2.500e+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! class 3 alkyl radical decomposition ! ! c8h17-2a = c5h11-1 + c3h6 3.68E+15 -0.56 31359 c8h17-2a = ch3 + c7h14-1 9.55E+14 -0.59 30592 h + c8h16-1-2 = c8h17-2a 2.500e+11 0.51 2620.0 ! c8h17-2b = pc4h9 + ic4h8 1.71E+12 0.31 26610 h + c8h16-1-2 = c8h17-2b 4.240e+11 0.51 1230.0 h + c8h16-2-2 = c8h17-2b 2.500e+11 0.51 2620.0 ! c8h17-2c = nc3h7 + cc5h10 3.08E+13 0.03 28992 c8h17-2c = ch3 + c7h14-2 1.77E+13 0.11 30542 h + c8h16-2-2 = c8h17-2c 2.500e+11 0.51 2620.0 h + c8h16-3-2 = c8h17-2c 2.500e+11 0.51 2620.0 ! c8h17-2d = ic3h7 + c5h10-1 6.98E+12 0.16 24963 c8h17-2d = c2h5 + dc6h12 3.08E+13 0.03 28992 h + c8h16-3-2 = c8h17-2d 2.500e+11 0.51 2620.0 h + c8h16-4-2 = c8h17-2d 2.500e+11 0.51 2620.0 ! c8h17-2e = ic4h9 + c4h8-1 6.98E+12 0.16 24963 c8h17-2e = ch3 + c7h14-5-2 9.55E+14 -0.59 30592 h + c8h16-4-2 = c8h17-2e 2.500e+11 0.51 2620.0 h + c8h16-5-2 = c8h17-2e 2.500e+11 0.51 2620.0 ! c8h17-2f = dc5h11 + c3h6 1.06E+13 0.07 27125 h + c8h16-5-2 = c8h17-2f 2.500e+11 0.51 2620.0 h + c8h16-6-2 = c8h17-2f 2.500e+11 0.51 2620.0 ! ! c8h17-2g = ec6h13 + c2h4 2.64E+15 -0.55 31136 h + c8h16-6-2 = c8h17-2g 2.500e+11 0.51 2620.0 ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 4 alkyl radical isomerization ! include 5, 6, and 7 membered transition state rings only ! c7h15-2a = c7h15-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s c7h15-2a = c7h15-2e 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c7h15-2a = c7h15-2f 6.69E+02 2.31 1.395E+04 !Awan 2010 6-5MeJ=1-5MeH, 7m p-p c7h15-2b = c7h15-2e 1.27e+01 3.07 1.744e+04 !Awan 2010 5-5meH=2-5meH, 5m t-s c7h15-2b = c7h15-2f 4.86e+01 2.62 1.200e+04 !Awan 2010 5-5meH=1-5meH, 6m t-p c7h15-2f = c7h15-2c 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! class 4 alkyl radical isomerization ! include 5, 6 and 7 membered transition state rings ! ! c8h17-2a = c8h17-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s c8h17-2a = c8h17-2e 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c8h17-2a = c8h17-2f 2.96E+00 3.08 1.102E+04 !Tsang 2009 1-octyl=3-octyl. 7m p-s c8h17-2b = c8h17-2e 1.27e+01 3.07 1.744e+04 !Awan 2010 5-5meH=2-5meH, 5m t-s c8h17-2b = c8h17-2f 4.11e+02 2.42 1.150e+04 !Awan 2010 5-5meH=1-5meH, 6m t-s c8h17-2b = c8h17-2g 4.05e+00 2.51 1.38e+04 !estimated by Mani Sarathy 2010, 7m t-p c8h17-2c = c8h17-2f 1.42E+00 3.32 1.614E+04 !Tsang 2009 2-octy=4octyl, 5m s-s c8h17-2g = c8h17-2c 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c8h17-2g = c8h17-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! class 5 ! h atom abstraction from alkenes by oh, ho2, h, ch3, and o ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-2-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-3-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-4-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-5-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 ! ! c7h14-1-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-2-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-3-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-4-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-5-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-2-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-3-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-4-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-5-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-2-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-3-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-4-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-5-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-2-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-3-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-4-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-5-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! class 5 ! h atom abstraction from alkenes by oh, h, ch3, and o ! ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-2-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-3-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-4-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-5-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-6-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 ! ! c8h16-1-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-2-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-3-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-4-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-5-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-6-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-2-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-3-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-4-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-5-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-6-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-2-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-3-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-4-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-5-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-6-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-2-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-3-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-4-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-5-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-6-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! class 6 addition of radical species to alkenes ! ! c7h14-1-2 + oh = ch2o + c6h13-2 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-1-2 + oh = ch3coch3 + pc4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-2-2 + oh = ch3coch3 + pc4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-3-2 + oh = c2h5cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + oh = c2h5cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + oh = ch3cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + oh = ch3cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + oh = ch2o + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c7h14-1-2 + o = ch2o + c6h12-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-1-2 + o = ch3coch3 + c4h8-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-2-2 + o = ch3coch3 + c4h8-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-3-2 + o = c2h5cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + o = c2h5cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + o = ch3cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + o = ch3cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + o = ch2o + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! ! ! ! class 6 addition of radical species to alkenes ! ! c8h16-1-2 + oh = ch2o + c7h15-2 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-1-2 + oh = ch3coch3 + c5h11-1 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-2-2 + oh = ch3coch3 + c5h11-1 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-3-2 + oh = nc3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + oh = nc3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + oh = c2h5cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + oh = c2h5cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + oh = ch3cho + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + oh = ch3cho + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + oh = ch2o + c7h15-2f 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c8h16-1-2 + o = ch2o + c7h14-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-1-2 + o = ch3coch3 + c5h10-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-2-2 + o = ch3coch3 + c5h10-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-3-2 + o = nc3h7cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + o = nc3h7cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + o = c2h5cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + o = c2h5cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + o = ch3cho + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + o = ch3cho + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + o = ch2o + c7h14-5-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-methylhexane ! class 7 ! c7h13-1-2+ho2<=>ac3h5cho+nc3h7 + oh 9.640e+12 0.00 0.000e+00 c7h13-1-2+ch3o2<=>ac3h5cho+nc3h7+ch3o 9.640e+12 0.00 0.000e+00 c7h13-1-2+c2h5o2<=>ac3h5cho+nc3h7+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! 2-methylheptane ! class 7 ! c8h15-1-2+ho2<=>ac3h5cho+pc4h9 + oh 9.640e+12 0.00 0.000e+00 c8h15-1-2+ch3o2<=>ac3h5cho+pc4h9+ch3o 9.640e+12 0.00 0.000e+00 c8h15-1-2+c2h5o2<=>ac3h5cho+pc4h9+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 8 alkenyl radical decomposition global reactions ! ! ! the complexity of this section is reduced since only one global alkenyl radical was formed in class 5 (i.e., c7h13-1-2a) c7h13-1-2 = c3h6 + c4h71-4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic4h8 + c3h5-a 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = cc5h10 + c2h3 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / ! c7h13-1-2 = c3h5-t + c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic4h7 + c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic5h9 + c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! 2-methylheptane ! ! ! ! ! class 8 alkenyl radical decomposition global reactions ! ! c8h15-1-2 = c3h6 + c5h91-5 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic4h8 + c4h71-4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = cc5h10 + c3h5-a 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = dc6h12 + c2h3 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / ! c8h15-1-2 = c3h5-t + c5h10-1 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic4h7 + c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic5h9 + c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic6h11 + c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 9 decomposition of alkenes ! ! c7h14-1-2 = ic4h7 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-2-2 = ic5h9 + c2h5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-3-2 = ic6h11 + ch3 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! c7h14-4-2 = ic3h7 + c4h71-4 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-5-2 = ic4h7 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! 2-methylheptane ! ! ! ! ! class 9 decomposition of alkenes ! ! c8h16-1-2 = ic4h7 + pc4h9 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-2-2 = ic5h9 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-3-2 = ic6h11 + c2h5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-4-2 = c7h13-1-2 + ch3 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! c8h16-4-2 = ic3h7 + c5h91-5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-5-2 = ic4h7 + pc4h9 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-6-2 = ic5h9 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 10 retroene reactions ! ! ! ! c7h14-1-2 = c4h8-1 + c3h6 3.98e+12 0 57629 c8h16-1-2 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c7h14-2-2 = c2h4 + cc5h10 3.98e+12 0 57629 c8h16-2-2 = c3h6 + cc5h10 3.98e+12 0 57629 ! ! ! ! c8h16-3-2 = c2h4 + dc6h12 3.98e+12 0 57629 ! ! c7h14-4-2 = c4h8-1 + c3h6 3.98e+12 0 57629 c8h16-4-2 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c7h14-5-2 = c3h6 + ic4h8 3.98e+12 0 57629 c8h16-5-2 = c4h8-1 + ic4h8 3.98e+12 0 57629 ! ! c8h16-6-2 = c3h6 + cc5h10 3.98e+12 0 57629 ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 11 addition of o2 to alkyl ! ! c7h15-2a + o2 = c7h15oo-1-2 4.52E+12 0 0 c7h15-2b + o2 = c7h15oo-2-2 1.41E+13 0 0 c7h15-2c + o2 = c7h15oo-3-2 7.54E+12 0 0 c7h15-2d + o2 = c7h15oo-4-2 7.54E+12 0 0 c7h15-2e + o2 = c7h15oo-5-2 7.54E+12 0 0 c7h15-2f + o2 = c7h15oo-6-2 4.52E+12 0 0 ! ! 2-methylheptane ! ! ! ! ! ! class 11 addition of o2 to alkyl ! ! c8h17-2a + o2 = c8h17oo-1-2 4.52E+12 0 0 c8h17-2b + o2 = c8h17oo-2-2 1.41E+13 0 0 c8h17-2c + o2 = c8h17oo-3-2 7.54E+12 0 0 c8h17-2d + o2 = c8h17oo-4-2 7.54E+12 0 0 c8h17-2e + o2 = c8h17oo-5-2 7.54E+12 0 0 c8h17-2f + o2 = c8h17oo-6-2 7.54E+12 0 0 c8h17-2g + o2 = c8h17oo-7-2 4.52E+12 0 0 ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! class 12 r. + r'oo. = ro. + r'o. ! addition of alkyl radical (r.) with alkylperoxy radical (r'oo.) to form two ro molecules. ! ! ! ! ! c7h15-2a + c7h15oo-1-2 = c7h15o-1-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2a + c7h15oo-2-2 = c7h15o-1-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2a + c7h15oo-3-2 = c7h15o-1-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2a + c7h15oo-4-2 = c7h15o-1-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2a + c7h15oo-5-2 = c7h15o-1-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2a + c7h15oo-6-2 = c7h15o-1-2 + c7h15o-6-2 7.00e+12 0 -1000 ! ! c7h15-2b + c7h15oo-1-2 = c7h15o-2-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2b + c7h15oo-2-2 = c7h15o-2-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2b + c7h15oo-3-2 = c7h15o-2-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2b + c7h15oo-4-2 = c7h15o-2-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2b + c7h15oo-5-2 = c7h15o-2-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2b + c7h15oo-6-2 = c7h15o-2-2 + c7h15o-6-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-1-2 = c7h15o-3-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-2-2 = c7h15o-3-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-3-2 = c7h15o-3-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-4-2 = c7h15o-3-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-5-2 = c7h15o-3-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2c + c7h15oo-6-2 = c7h15o-3-2 + c7h15o-6-2 7.00e+12 0 -1000 ! c7h15-2d + c7h15oo-1-2 = c7h15o-4-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2d + c7h15oo-2-2 = c7h15o-4-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2d + c7h15oo-3-2 = c7h15o-4-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2d + c7h15oo-4-2 = c7h15o-4-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2d + c7h15oo-5-2 = c7h15o-4-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2d + c7h15oo-6-2 = c7h15o-4-2 + c7h15o-6-2 7.00e+12 0 -1000 ! ! c7h15-2e + c7h15oo-1-2 = c7h15o-5-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2e + c7h15oo-2-2 = c7h15o-5-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2e + c7h15oo-3-2 = c7h15o-5-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2e + c7h15oo-4-2 = c7h15o-5-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2e + c7h15oo-5-2 = c7h15o-5-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2e + c7h15oo-6-2 = c7h15o-5-2 + c7h15o-6-2 7.00e+12 0 -1000 ! ! c7h15-2f + c7h15oo-1-2 = c7h15o-6-2 + c7h15o-1-2 7.00e+12 0 -1000 c7h15-2f + c7h15oo-2-2 = c7h15o-6-2 + c7h15o-2-2 7.00e+12 0 -1000 c7h15-2f + c7h15oo-3-2 = c7h15o-6-2 + c7h15o-3-2 7.00e+12 0 -1000 c7h15-2f + c7h15oo-4-2 = c7h15o-6-2 + c7h15o-4-2 7.00e+12 0 -1000 c7h15-2f + c7h15oo-5-2 = c7h15o-6-2 + c7h15o-5-2 7.00e+12 0 -1000 c7h15-2f + c7h15oo-6-2 = c7h15o-6-2 + c7h15o-6-2 7.00e+12 0 -1000 ! ! 2-methylheptane ! ! ! ! ! ! class 12 r. + r'oo. = ro. + r'o. ! addition of alkyl radical (r.) with alkylperoxy radical (r'oo.) to form two ro molecules. ! ! ! ! ! c8h17-2a + c8h17oo-1-2 = c8h17o-1-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-2-2 = c8h17o-1-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-3-2 = c8h17o-1-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-4-2 = c8h17o-1-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-5-2 = c8h17o-1-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-6-2 = c8h17o-1-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2a + c8h17oo-7-2 = c8h17o-1-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2b + c8h17oo-1-2 = c8h17o-2-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-2-2 = c8h17o-2-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-3-2 = c8h17o-2-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-4-2 = c8h17o-2-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-5-2 = c8h17o-2-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-6-2 = c8h17o-2-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2b + c8h17oo-7-2 = c8h17o-2-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2c + c8h17oo-1-2 = c8h17o-3-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-2-2 = c8h17o-3-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-3-2 = c8h17o-3-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-4-2 = c8h17o-3-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-5-2 = c8h17o-3-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-6-2 = c8h17o-3-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2c + c8h17oo-7-2 = c8h17o-3-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2d + c8h17oo-1-2 = c8h17o-4-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-2-2 = c8h17o-4-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-3-2 = c8h17o-4-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-4-2 = c8h17o-4-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-5-2 = c8h17o-4-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-6-2 = c8h17o-4-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2d + c8h17oo-7-2 = c8h17o-4-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2e + c8h17oo-1-2 = c8h17o-5-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-2-2 = c8h17o-5-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-3-2 = c8h17o-5-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-4-2 = c8h17o-5-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-5-2 = c8h17o-5-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-6-2 = c8h17o-5-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2e + c8h17oo-7-2 = c8h17o-5-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2f + c8h17oo-1-2 = c8h17o-6-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-2-2 = c8h17o-6-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-3-2 = c8h17o-6-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-4-2 = c8h17o-6-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-5-2 = c8h17o-6-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-6-2 = c8h17o-6-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2f + c8h17oo-7-2 = c8h17o-6-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! c8h17-2g + c8h17oo-1-2 = c8h17o-7-2 + c8h17o-1-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-2-2 = c8h17o-7-2 + c8h17o-2-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-3-2 = c8h17o-7-2 + c8h17o-3-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-4-2 = c8h17o-7-2 + c8h17o-4-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-5-2 = c8h17o-7-2 + c8h17o-5-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-6-2 = c8h17o-7-2 + c8h17o-6-2 7.00e+12 0 -1000 c8h17-2g + c8h17oo-7-2 = c8h17o-7-2 + c8h17o-7-2 7.00e+12 0 -1000 ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! Class 13 r. + hoo. = ro. + oh. ! addition of alkyl radical (r.) with hydroperoxy radical (hoo.) to form ro and oh. ! ! ! ! ! c7h15-2a + ho2 = c7h15o-1-2 + oh 7.00e+12 0 -1000 c7h15-2b + ho2 = c7h15o-2-2 + oh 7.00e+12 0 -1000 c7h15-2c + ho2 = c7h15o-3-2 + oh 7.00e+12 0 -1000 c7h15-2d + ho2 = c7h15o-4-2 + oh 7.00e+12 0 -1000 c7h15-2e + ho2 = c7h15o-5-2 + oh 7.00e+12 0 -1000 c7h15-2f + ho2 = c7h15o-6-2 + oh 7.00e+12 0 -1000 ! ! ! ! ! ! 2-methylheptane ! ! ! ! addition of alkyl radical (r.) with hydroperoxy radical (hoo.) to form ro and oh. ! ! ! ! ! c8h17-2a + ho2 = c8h17o-1-2 + oh 7.00e+12 0 -1000 c8h17-2b + ho2 = c8h17o-2-2 + oh 7.00e+12 0 -1000 c8h17-2c + ho2 = c8h17o-3-2 + oh 7.00e+12 0 -1000 c8h17-2d + ho2 = c8h17o-4-2 + oh 7.00e+12 0 -1000 c8h17-2e + ho2 = c8h17o-5-2 + oh 7.00e+12 0 -1000 c8h17-2f + ho2 = c8h17o-6-2 + oh 7.00e+12 0 -1000 c8h17-2g + ho2 = c8h17o-7-2 + oh 7.00e+12 0 -1000 ! ! ! ! Class 14 ! ! ! ! ! c7h15-2a + ch3o2 = c7h15o-1-2 + ch3o 7.00e+12 0 -1000 c7h15-2b + ch3o2 = c7h15o-2-2 + ch3o 7.00e+12 0 -1000 c7h15-2c + ch3o2 = c7h15o-3-2 + ch3o 7.00e+12 0 -1000 c7h15-2d + ch3o2 = c7h15o-4-2 + ch3o 7.00e+12 0 -1000 c7h15-2e + ch3o2 = c7h15o-5-2 + ch3o 7.00e+12 0 -1000 c7h15-2f + ch3o2 = c7h15o-6-2 + ch3o 7.00e+12 0 -1000 ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! class 15 ro2 isomerization ! roo. = .qooh ! h atom transfers from a carbon to the o radical site ! includes transition state rings of 5, 6, 7, 8 atoms ! a hyphen is not used to indicate ooh position ! radical site denoted by letter ! ! ! ! 2-methylhexane ! ! ! c7h15oo-1-2 = c7ooh1-2a 3.75e+10 0.00 2.400e+04 c7h15oo-1-2 = c7ooh1-2b 1.00e+11 0.00 2.370e+04 c7h15oo-1-2 = c7ooh1-2c 2.50e+10 0.00 2.045e+04 c7h15oo-1-2 = c7ooh1-2d 3.125e+09 0.00 1.865e+04 c7h15oo-1-2 = c7ooh1-2e 3.906e+08 0.00 2.165e+04 ! ! c7h15oo-2-2 = c7ooh2-2a 6.00e+11 0.00 2.900e+04 c7h15oo-2-2 = c7ooh2-2c 2.00e+11 0.00 2.645e+04 c7h15oo-2-2 = c7ooh2-2d 2.50e+10 0.00 2.045e+04 c7h15oo-2-2 = c7ooh2-2e 3.125e+09 0.00 1.865e+04 c7h15oo-2-2 = c7ooh2-2f 5.86e+08 0.00 2.520e+04 ! ! c7h15oo-3-2 = c7ooh3-2a 7.50e+10 0.00 2.400e+04 c7h15oo-3-2 = c7ooh3-2b 1.00e+11 0.00 2.370e+04 c7h15oo-3-2 = c7ooh3-2d 2.00e+11 0.00 2.645e+04 c7h15oo-3-2 = c7ooh3-2e 2.50e+10 0.00 2.045e+04 c7h15oo-3-2 = c7ooh3-2f 4.69e+09 0.00 2.195e+04 ! ! c7h15oo-4-2 = c7ooh4-2a 9.38e+09 0.00 2.165e+04 c7h15oo-4-2 = c7ooh4-2b 1.25e+10 0.00 1.870e+04 c7h15oo-4-2 = c7ooh4-2c 2.00e+11 0.00 2.645e+04 c7h15oo-4-2 = c7ooh4-2e 2.00e+11 0.00 2.645e+04 c7h15oo-4-2 = c7ooh4-2f 3.75e+10 0.00 2.400e+04 ! ! c7h15oo-5-2 = c7ooh5-2a 1.17e+09 0.00 2.515e+04 c7h15oo-5-2 = c7ooh5-2b 1.56e+09 0.00 1.665E+04 c7h15oo-5-2 = c7ooh5-2c 2.50e+10 0.00 2.045e+04 c7h15oo-5-2 = c7ooh5-2d 2.00e+11 0.00 2.645e+04 c7h15oo-5-2 = c7ooh5-2f 3.00e+11 0.00 2.900e+04 ! ! c7h15oo-6-2 = c7ooh6-2b 1.95e+08 0.00 1.965e+04 c7h15oo-6-2 = c7ooh6-2c 3.125e+09 0.00 1.865e+04 c7h15oo-6-2 = c7ooh6-2d 2.50e+10 0.00 2.045e+04 c7h15oo-6-2 = c7ooh6-2e 2.00e+11 0.00 2.645e+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! class 15 ro2 isomerization ! roo. = .qooh ! h atom transfers from a carbon to the o radical site ! includes transition state rings of 5, 6, 7, 8 atoms ! a hyphen is not used to indicate ooh position ! radical site denoted by letter ! ! c8h17oo-1-2 = c8ooh1-2a 3.75e+10 0.00 2.400e+04 c8h17oo-1-2 = c8ooh1-2b 1.00e+11 0.00 2.370e+04 c8h17oo-1-2 = c8ooh1-2c 2.50e+10 0.00 2.045e+04 c8h17oo-1-2 = c8ooh1-2d 3.125e+09 0.00 1.865e+04 c8h17oo-1-2 = c8ooh1-2e 3.906e+08 0.00 2.165e+04 ! ! c8h17oo-2-2 = c8ooh2-2a 6.00e+11 0.00 2.900e+04 c8h17oo-2-2 = c8ooh2-2c 2.00e+11 0.00 2.645e+04 c8h17oo-2-2 = c8ooh2-2d 2.50e+10 0.00 2.045e+04 c8h17oo-2-2 = c8ooh2-2e 3.125e+09 0.00 1.865e+04 c8h17oo-2-2 = c8ooh2-2f 3.906e+08 0.00 2.165e+04 ! ! c8h17oo-3-2 = c8ooh3-2a 7.50e+10 0.00 2.400e+04 c8h17oo-3-2 = c8ooh3-2b 1.00e+11 0.00 2.370e+04 c8h17oo-3-2 = c8ooh3-2d 2.00e+11 0.00 2.645e+04 c8h17oo-3-2 = c8ooh3-2e 2.50e+10 0.00 2.045e+04 c8h17oo-3-2 = c8ooh3-2f 3.125e+09 0.00 1.865e+04 c8h17oo-3-2 = c8ooh3-2g 5.86e+08 0.00 2.520e+04 ! ! c8h17oo-4-2 = c8ooh4-2a 9.38e+09 0.00 2.165e+04 c8h17oo-4-2 = c8ooh4-2b 1.25e+10 0.00 1.870e+04 c8h17oo-4-2 = c8ooh4-2c 2.00e+11 0.00 2.645e+04 c8h17oo-4-2 = c8ooh4-2e 2.00e+11 0.00 2.645e+04 c8h17oo-4-2 = c8ooh4-2f 2.50e+10 0.00 2.045e+04 c8h17oo-4-2 = c8ooh4-2g 4.69e+09 0.00 2.195e+04 ! ! c8h17oo-5-2 = c8ooh5-2a 1.17e+09 0.00 2.515e+04 c8h17oo-5-2 = c8ooh5-2b 1.56e+09 0.00 1.665E+04 c8h17oo-5-2 = c8ooh5-2c 2.50e+10 0.00 2.045e+04 c8h17oo-5-2 = c8ooh5-2d 2.00e+11 0.00 2.645e+04 c8h17oo-5-2 = c8ooh5-2f 2.00e+11 0.00 2.645e+04 c8h17oo-5-2 = c8ooh5-2g 3.75e+10 0.00 2.400e+04 ! ! c8h17oo-6-2 = c8ooh6-2b 1.95e+08 0.00 1.965e+04 c8h17oo-6-2 = c8ooh6-2c 3.125e+09 0.00 1.865e+04 c8h17oo-6-2 = c8ooh6-2d 2.50e+10 0.00 2.045e+04 c8h17oo-6-2 = c8ooh6-2e 2.00e+11 0.00 2.645e+04 c8h17oo-6-2 = c8ooh6-2g 3.00e+11 0.00 2.900e+04 ! ! c8h17oo-7-2 = c8ooh7-2c 3.906e+08 0.00 2.165e+04 c8h17oo-7-2 = c8ooh7-2d 3.125e+09 0.00 1.865e+04 c8h17oo-7-2 = c8ooh7-2e 2.50e+10 0.00 2.045e+04 c8h17oo-7-2 = c8ooh7-2f 2.00e+11 0.00 2.645e+04 ! ! ! ! ! class 16 Ro2=ho2+alkene direct elimination of ho2 and alkene from Ro2 ! c7h15oo-1-2<=>c7h14-1-2+ho2 2.2650E+35 -7.220 3.944E+04 c7h15oo-2-2<=>c7h14-1-2+ho2 5.920e+42 -9.43 4.153e+04 c7h15oo-2-2<=>c7h14-2-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-3-2<=>c7h14-2-2+ho2 2.2650E+35 -7.220 3.944E+04 c7h15oo-3-2<=>c7h14-3-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-4-2<=>c7h14-3-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-4-2<=>c7h14-4-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-5-2<=>c7h14-4-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-5-2<=>c7h14-5-2+ho2 4.308e+36 -7.50 3.951e+04 c7h15oo-6-2<=>c7h14-5-2+ho2 4.308e+36 -7.50 3.951e+04 ! ! ! ! class 16 Ro2=ho2+alkene direct elimination of ho2 and alkene from Ro2 ! c8h17oo-1-2<=>c8h16-1-2+ho2 2.2650E+35 -7.220 3.944E+04 c8h17oo-2-2<=>c8h16-1-2+ho2 5.920e+42 -9.43 4.153e+04 c8h17oo-2-2<=>c8h16-2-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-3-2<=>c8h16-2-2+ho2 2.2650E+35 -7.220 3.944E+04 c8h17oo-3-2<=>c8h16-3-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-4-2<=>c8h16-3-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-4-2<=>c8h16-4-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-5-2<=>c8h16-4-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-5-2<=>c8h16-5-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-6-2<=>c8h16-5-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-6-2<=>c8h16-6-2+ho2 4.308e+36 -7.50 3.951e+04 c8h17oo-7-2<=>c8h16-6-2+ho2 4.308e+36 -7.50 3.951e+04 ! ! ! ! ! ! ! ! ! ! ! class 17 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! c7h15oo-1-2 + ho2 = c7h15ooh-1-2 + o2 1.75e+10 0 -3275 c7h15oo-2-2 + ho2 = c7h15ooh-2-2 + o2 1.75e+10 0 -3275 c7h15oo-3-2 + ho2 = c7h15ooh-3-2 + o2 1.75e+10 0 -3275 c7h15oo-4-2 + ho2 = c7h15ooh-4-2 + o2 1.75e+10 0 -3275 c7h15oo-5-2 + ho2 = c7h15ooh-5-2 + o2 1.75e+10 0 -3275 c7h15oo-6-2 + ho2 = c7h15ooh-6-2 + o2 1.75e+10 0 -3275 ! ! ! 2-methylheptane ! ! ! ! ! ! class 17 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! c8h17oo-1-2 + ho2 = c8h17ooh-1-2 + o2 1.75e+10 0 -3275 c8h17oo-2-2 + ho2 = c8h17ooh-2-2 + o2 1.75e+10 0 -3275 c8h17oo-3-2 + ho2 = c8h17ooh-3-2 + o2 1.75e+10 0 -3275 c8h17oo-4-2 + ho2 = c8h17ooh-4-2 + o2 1.75e+10 0 -3275 c8h17oo-5-2 + ho2 = c8h17ooh-5-2 + o2 1.75e+10 0 -3275 c8h17oo-6-2 + ho2 = c8h17ooh-6-2 + o2 1.75e+10 0 -3275 c8h17oo-7-2 + ho2 = c8h17ooh-7-2 + o2 1.75e+10 0 -3275 ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 18 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ho2 ! c7h15oo-1-2 + h2o2 = c7h15ooh-1-2 + ho2 2.40e+12 0 1.00e+04 c7h15oo-2-2 + h2o2 = c7h15ooh-2-2 + ho2 2.40e+12 0 1.00e+04 c7h15oo-3-2 + h2o2 = c7h15ooh-3-2 + ho2 2.40e+12 0 1.00e+04 c7h15oo-4-2 + h2o2 = c7h15ooh-4-2 + ho2 2.40e+12 0 1.00e+04 c7h15oo-5-2 + h2o2 = c7h15ooh-5-2 + ho2 2.40e+12 0 1.00e+04 c7h15oo-6-2 + h2o2 = c7h15ooh-6-2 + ho2 2.40e+12 0 1.00e+04 ! ! ! 2-methylheptane ! ! ! ! ! ! class 18 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ho2 ! c8h17oo-1-2 + h2o2 = c8h17ooh-1-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-2-2 + h2o2 = c8h17ooh-2-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-3-2 + h2o2 = c8h17ooh-3-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-4-2 + h2o2 = c8h17ooh-4-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-5-2 + h2o2 = c8h17ooh-5-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-6-2 + h2o2 = c8h17ooh-6-2 + ho2 2.40e+12 0 1.00e+04 c8h17oo-7-2 + h2o2 = c8h17ooh-7-2 + ho2 2.40e+12 0 1.00e+04 ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 19 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ch3o + o2 ! c7h15oo-1-2 + ch3o2 = c7h15o-1-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c7h15oo-2-2 + ch3o2 = c7h15o-2-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c7h15oo-3-2 + ch3o2 = c7h15o-3-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c7h15oo-4-2 + ch3o2 = c7h15o-4-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c7h15oo-5-2 + ch3o2 = c7h15o-5-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c7h15oo-6-2 + ch3o2 = c7h15o-6-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / ! ! ! 2-methylheptane ! ! ! ! ! ! class 19 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ch3o + o2 ! c8h17oo-1-2 + ch3o2 = c8h17o-1-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + ch3o2 = c8h17o-2-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-2 + ch3o2 = c8h17o-3-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-4-2 + ch3o2 = c8h17o-4-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-5-2 + ch3o2 = c8h17o-5-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-6-2 + ch3o2 = c8h17o-6-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-7-2 + ch3o2 = c8h17o-7-2 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! class 20 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! ! ! c7h15oo-1-2 + c7h15oo-1-2 = c7h15o-1-2 + c7h15o-1-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-1-2 + c7h15oo-2-2 = c7h15o-1-2 + c7h15o-2-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-1-2 + c7h15oo-3-2 = c7h15o-1-2 + c7h15o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-1-2 + c7h15oo-4-2 = c7h15o-1-2 + c7h15o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-1-2 + c7h15oo-5-2 = c7h15o-1-2 + c7h15o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-1-2 + c7h15oo-6-2 = c7h15o-1-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! c7h15oo-2-2 + c7h15oo-2-2 = c7h15o-2-2 + c7h15o-2-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-2-2 + c7h15oo-3-2 = c7h15o-2-2 + c7h15o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-2-2 + c7h15oo-4-2 = c7h15o-2-2 + c7h15o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-2-2 + c7h15oo-5-2 = c7h15o-2-2 + c7h15o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-2-2 + c7h15oo-6-2 = c7h15o-2-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! c7h15oo-3-2 + c7h15oo-3-2 = c7h15o-3-2 + c7h15o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-3-2 + c7h15oo-4-2 = c7h15o-3-2 + c7h15o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-3-2 + c7h15oo-5-2 = c7h15o-3-2 + c7h15o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-3-2 + c7h15oo-6-2 = c7h15o-3-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! c7h15oo-4-2 + c7h15oo-4-2 = c7h15o-4-2 + c7h15o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-4-2 + c7h15oo-5-2 = c7h15o-4-2 + c7h15o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-4-2 + c7h15oo-6-2 = c7h15o-4-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! c7h15oo-5-2 + c7h15oo-5-2 = c7h15o-5-2 + c7h15o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c7h15oo-5-2 + c7h15oo-6-2 = c7h15o-5-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! c7h15oo-6-2 + c7h15oo-6-2 = c7h15o-6-2 + c7h15o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! 2-methylheptane ! ! ! ! ! ! class 20 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! ! ! c8h17oo-1-2 + c8h17oo-1-2 = c8h17o-1-2 + c8h17o-1-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-2-2 = c8h17o-1-2 + c8h17o-2-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-3-2 = c8h17o-1-2 + c8h17o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-4-2 = c8h17o-1-2 + c8h17o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-5-2 = c8h17o-1-2 + c8h17o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-6-2 = c8h17o-1-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-2 + c8h17oo-7-2 = c8h17o-1-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! c8h17oo-2-2 + c8h17oo-2-2 = c8h17o-2-2 + c8h17o-2-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + c8h17oo-3-2 = c8h17o-2-2 + c8h17o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + c8h17oo-4-2 = c8h17o-2-2 + c8h17o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + c8h17oo-5-2 = c8h17o-2-2 + c8h17o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + c8h17oo-6-2 = c8h17o-2-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-2 + c8h17oo-7-2 = c8h17o-2-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! c8h17oo-3-2 + c8h17oo-3-2 = c8h17o-3-2 + c8h17o-3-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-2 + c8h17oo-4-2 = c8h17o-3-2 + c8h17o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-2 + c8h17oo-5-2 = c8h17o-3-2 + c8h17o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-2 + c8h17oo-6-2 = c8h17o-3-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-2 + c8h17oo-7-2 = c8h17o-3-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! c8h17oo-4-2 + c8h17oo-4-2 = c8h17o-4-2 + c8h17o-4-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-4-2 + c8h17oo-5-2 = c8h17o-4-2 + c8h17o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-4-2 + c8h17oo-6-2 = c8h17o-4-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-4-2 + c8h17oo-7-2 = c8h17o-4-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! c8h17oo-5-2 + c8h17oo-5-2 = c8h17o-5-2 + c8h17o-5-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-5-2 + c8h17oo-6-2 = c8h17o-5-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-5-2 + c8h17oo-7-2 = c8h17o-5-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! c8h17oo-6-2 + c8h17oo-6-2 = c8h17o-6-2 + c8h17o-6-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-6-2 + c8h17oo-7-2 = c8h17o-6-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! c8h17oo-7-2 + c8h17oo-7-2 = c8h17o-7-2 + c8h17o-7-2 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! class 21 ! ! rooh = ro + oh !! c7h15ooh-1-2 = c7h15o-1-2 + oh 1.000e+16 0.00 3.900e+04 c7h15ooh-2-2 = c7h15o-2-2 + oh 1.000e+16 0.00 3.900e+04 c7h15ooh-3-2 = c7h15o-3-2 + oh 1.000e+16 0.00 3.900e+04 c7h15ooh-4-2 = c7h15o-4-2 + oh 1.000e+16 0.00 3.900e+04 c7h15ooh-5-2 = c7h15o-5-2 + oh 1.000e+16 0.00 3.900e+04 c7h15ooh-6-2 = c7h15o-6-2 + oh 1.000e+16 0.00 3.900e+04 ! ! ! 2-methylheptane ! ! ! ! ! ! ! class 21 ! ! rooh = ro + oh ! ! c8h17ooh-1-2 = c8h17o-1-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-2-2 = c8h17o-2-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-3-2 = c8h17o-3-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-4-2 = c8h17o-4-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-5-2 = c8h17o-5-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-6-2 = c8h17o-6-2 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-7-2 = c8h17o-7-2 + oh 1.000e+16 0.00 3.900e+04 ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 22 decomposition of akylperoxy radical (ro.) ! ! ch2o + c6h13-2 = c7h15o-1-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / ch3coch3 + pc4h9 = c7h15o-2-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / ic3h7cho + nc3h7 = c7h15o-3-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / c2h5cho + ic4h9 = c7h15o-4-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / ch3cho + dc5h11 = c7h15o-5-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / ch2o + ec6h13 = c7h15o-6-2 1.00e+11 0 11900 rev / 0 0.00 0.00 / ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! class 22 decomposition of akylperoxy radical (ro.) ! ! ch2o + c7h15-2 = c8h17o-1-2 1.00e+11 0.00 11900 rev / 0.00 0.00 0.00 / ch3coch3 + c5h11-1 = c8h17o-2-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / ic3h7cho + pc4h9 = c8h17o-3-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / nc3h7cho + ic4h9 = c8h17o-4-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / c2h5cho + dc5h11 = c8h17o-5-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / ch3cho + ec6h13 = c8h17o-6-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / ch2o + c7h15-2f = c8h17o-7-2 1.00e+11 0 11900 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! class 23 decomposition of .qooh to form cyclic ether (qo) and oh ! .qooh = qo + oh ! the reactions are ordered by size of the cyclic ether ring because the reaction rates are determined based on the ring size ! ! 3 member rings c7ooh1-2b = c7h14o1-2-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh2-2a = c7h14o1-2-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh2-2c = c7h14o2-3-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh3-2b = c7h14o2-3-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh3-2d = c7h14o3-4-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh4-2c = c7h14o3-4-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh4-2e = c7h14o4-5-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh5-2d = c7h14o4-5-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh5-2f = c7h14o5-6-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c7ooh6-2e = c7h14o5-6-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / ! ! 4 member rings c7ooh1-2a = c7h14o1-1-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh1-2c = c7h14o1-3-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh2-2d = c7h14o2-4-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh3-2a = c7h14o1-3-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh3-2e = c7h14o3-5-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh4-2b = c7h14o2-4-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh4-2f = c7h14o4-6-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh5-2c = c7h14o3-5-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c7ooh6-2d = c7h14o4-6-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / ! ! 5 member rings c7ooh1-2d = c7h14o1-4-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c7ooh2-2e = c7h14o2-5-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c7ooh3-2f = c7h14o3-6-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c7ooh4-2a = c7h14o1-4-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c7ooh5-2b = c7h14o2-5-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c7ooh6-2c = c7h14o3-6-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / ! ! 6 member rings c7ooh1-2e = c7h14o1-5-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c7ooh2-2f = c7h14o2-6-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c7ooh5-2a = c7h14o1-5-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c7ooh6-2b = c7h14o2-6-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! class 23 decomposition of .qooh to form cyclic ether (qo) and oh ! .qooh = qo + oh ! the reactions are ordered by size of the cyclic ether ring because the reaction rates are determined based on the ring size ! ! 3 member rings c8ooh1-2b = c8h16o1-2-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh2-2a = c8h16o1-2-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh2-2c = c8h16o2-3-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh3-2b = c8h16o2-3-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh3-2d = c8h16o3-4-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh4-2c = c8h16o3-4-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh4-2e = c8h16o4-5-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh5-2d = c8h16o4-5-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh5-2f = c8h16o5-6-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh6-2e = c8h16o5-6-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh6-2g = c8h16o6-7-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh7-2f = c8h16o6-7-2 + oh 6.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / ! ! 4 member rings c8ooh1-2a = c8h16o1-1-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh1-2c = c8h16o1-3-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh2-2d = c8h16o2-4-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh3-2a = c8h16o1-3-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh3-2e = c8h16o3-5-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh4-2b = c8h16o2-4-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh4-2f = c8h16o4-6-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh5-2c = c8h16o3-5-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh5-2g = c8h16o5-7-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh6-2d = c8h16o4-6-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / c8ooh7-2e = c8h16o5-7-2 + oh 7.50e+10 0.00 1.53e+04 rev / 0.00 0.00 0.00 / ! ! 5 member rings c8ooh1-2d = c8h16o1-4-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh2-2e = c8h16o2-5-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh3-2f = c8h16o3-6-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh4-2g = c8h16o4-7-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh4-2a = c8h16o1-4-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh5-2b = c8h16o2-5-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh6-2c = c8h16o3-6-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh7-2d = c8h16o4-7-2 + oh 9.38e+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / ! ! 6 member rings c8ooh1-2e = c8h16o1-5-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh2-2f = c8h16o2-6-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh3-2g = c8h16o3-7-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh5-2a = c8h16o1-5-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh6-2b = c8h16o2-6-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh7-2c = c8h16o3-7-2 + oh 1.17e+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 24 .qooh species with a radical site beta to the hydroperoxy group decompose to an alkene and ho2 ! .qooh = alkene + ho2 ! ! ! ! c7h14-1-2 + ho2 = c7ooh1-2b 1.00E+11 0 1.19E+04 ! c7h14-1-2 + ho2 = c7ooh2-2a 1.00E+11 0 1.19E+04 ! c7h14-2-2 + ho2 = c7ooh2-2c 1.00E+11 0 1.19E+04 ! c7h14-2-2 + ho2 = c7ooh3-2b 1.00E+11 0 1.19E+04 ! c7h14-3-2 + ho2 = c7ooh3-2d 1.00E+11 0 1.19E+04 ! c7h14-3-2 + ho2 = c7ooh4-2c 1.00E+11 0 1.19E+04 ! c7h14-4-2 + ho2 = c7ooh4-2e 1.00E+11 0 1.19E+04 ! c7h14-4-2 + ho2 = c7ooh5-2d 1.00E+11 0 1.19E+04 ! c7h14-5-2 + ho2 = c7ooh5-2f 1.00E+11 0 1.19E+04 ! c7h14-5-2 + ho2 = c7ooh6-2e 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! ! ! class 24 .qooh species with a radical site beta to the hydroperoxy group decompose to an alkene and ho2 ! .qooh = alkene + ho2 ! ! c8h16-1-2 + ho2 = c8ooh1-2b 1.00E+11 0 1.19E+04 ! c8h16-1-2 + ho2 = c8ooh2-2a 1.00E+11 0 1.19E+04 ! c8h16-2-2 + ho2 = c8ooh2-2c 1.00E+11 0 1.19E+04 ! c8h16-2-2 + ho2 = c8ooh3-2b 1.00E+11 0 1.19E+04 ! c8h16-3-2 + ho2 = c8ooh3-2d 1.00E+11 0 1.19E+04 ! c8h16-3-2 + ho2 = c8ooh4-2c 1.00E+11 0 1.19E+04 ! c8h16-4-2 + ho2 = c8ooh4-2e 1.00E+11 0 1.19E+04 ! c8h16-4-2 + ho2 = c8ooh5-2d 1.00E+11 0 1.19E+04 ! c8h16-5-2 + ho2 = c8ooh5-2f 1.00E+11 0 1.19E+04 ! c8h16-5-2 + ho2 = c8ooh6-2e 1.00E+11 0 1.19E+04 ! c8h16-6-2 + ho2 = c8ooh6-2g 1.00E+11 0 1.19E+04 ! c8h16-6-2 + ho2 = c8ooh7-2f 1.00E+11 0 1.19E+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 25 .qooh species produced by an ro2 isomerization with an intermediate ring of six atoms decompose via beta scission ! .qooh = alkene + carbonyl + oh ! ! c7ooh1-2a = c6h12-1 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh1-2c = c6h12-2 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh2-2d = c4h8-1 + ch3coch3 + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh3-2e = c3h6 + ic3h7cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh3-2a = c3h6 + nc3h7cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh4-2b = ic4h8 + c2h5cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh4-2f = c2h4 + ic4h9cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh5-2c = cc5h10 + ch3cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c7ooh6-2d = dc6h12 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / ! ! ! ! 2-methylheptane ! ! class 25 .qooh species produced by an ro2 isomerization with an intermediate ring of six atoms decompose via beta scission ! .qooh = alkene + carbonyl + oh ! ! c8ooh1-2a = c7h14-1 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh1-2c = c7h14-2 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh2-2d = c5h10-1 + ch3coch3 + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh3-2e = c4h8-1 + ic3h7cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh3-2a = c3h6 + nc4h9cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh4-2b = ic4h8 + nc3h7cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh4-2f = c3h6 + ic4h9cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh5-2c = cc5h10 + c2h5cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh5-2g = c2h4 + ic5h11cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh6-2d = dc6h12 + ch3cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh7-2e = c7h14-5-2 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 26 Addition of class o2 and .Qooh to form peroxyalkylhydroperoxide species ! c7ooh1-2a + o2 = c7ooh1-oo1-2 4.52E+12 0 0 c7ooh1-2b + o2 = c7ooh1-oo2-2 1.41E+13 0 0 c7ooh1-2c + o2 = c7ooh1-oo3-2 7.54E+12 0 0 c7ooh1-2d + o2 = c7ooh1-oo4-2 7.54E+12 0 0 c7ooh1-2e + o2 = c7ooh1-oo5-2 7.54E+12 0 0 c7ooh2-2a + o2 = c7ooh2-oo1-2 4.52E+12 0 0 c7ooh2-2c + o2 = c7ooh2-oo3-2 7.54E+12 0 0 c7ooh2-2d + o2 = c7ooh2-oo4-2 7.54E+12 0 0 c7ooh2-2e + o2 = c7ooh2-oo5-2 7.54E+12 0 0 c7ooh2-2f + o2 = c7ooh2-oo6-2 4.52E+12 0 0 c7ooh3-2a + o2 = c7ooh3-oo1-2 4.52E+12 0 0 c7ooh3-2b + o2 = c7ooh3-oo2-2 1.41E+13 0 0 c7ooh3-2d + o2 = c7ooh3-oo4-2 7.54E+12 0 0 c7ooh3-2e + o2 = c7ooh3-oo5-2 7.54E+12 0 0 c7ooh3-2f + o2 = c7ooh3-oo6-2 4.52E+12 0 0 c7ooh4-2a + o2 = c7ooh4-oo1-2 4.52E+12 0 0 c7ooh4-2b + o2 = c7ooh4-oo2-2 1.41E+13 0 0 c7ooh4-2c + o2 = c7ooh4-oo3-2 7.54E+12 0 0 c7ooh4-2e + o2 = c7ooh4-oo5-2 7.54E+12 0 0 c7ooh4-2f + o2 = c7ooh4-oo6-2 4.52E+12 0 0 c7ooh5-2a + o2 = c7ooh5-oo1-2 4.52E+12 0 0 c7ooh5-2b + o2 = c7ooh5-oo2-2 1.41E+13 0 0 c7ooh5-2c + o2 = c7ooh5-oo3-2 7.54E+12 0 0 c7ooh5-2d + o2 = c7ooh5-oo4-2 7.54E+12 0 0 c7ooh5-2f + o2 = c7ooh5-oo6-2 4.52E+12 0 0 c7ooh6-2b + o2 = c7ooh6-oo2-2 1.41E+13 0 0 c7ooh6-2c + o2 = c7ooh6-oo3-2 7.54E+12 0 0 c7ooh6-2d + o2 = c7ooh6-oo4-2 7.54E+12 0 0 c7ooh6-2e + o2 = c7ooh6-oo5-2 7.54E+12 0 0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! c8ooh1-2a + o2 = c8ooh1-oo1-2 4.52E+12 0 0 c8ooh1-2b + o2 = c8ooh1-oo2-2 1.41E+13 0 0 c8ooh1-2c + o2 = c8ooh1-oo3-2 7.54E+12 0 0 c8ooh1-2d + o2 = c8ooh1-oo4-2 7.54E+12 0 0 c8ooh1-2e + o2 = c8ooh1-oo5-2 7.54E+12 0 0 c8ooh2-2a + o2 = c8ooh2-oo1-2 4.52E+12 0 0 c8ooh2-2c + o2 = c8ooh2-oo3-2 7.54E+12 0 0 c8ooh2-2d + o2 = c8ooh2-oo4-2 7.54E+12 0 0 c8ooh2-2e + o2 = c8ooh2-oo5-2 7.54E+12 0 0 c8ooh2-2f + o2 = c8ooh2-oo6-2 7.54E+12 0 0 c8ooh3-2a + o2 = c8ooh3-oo1-2 4.52E+12 0 0 c8ooh3-2b + o2 = c8ooh3-oo2-2 1.41E+13 0 0 c8ooh3-2d + o2 = c8ooh3-oo4-2 7.54E+12 0 0 c8ooh3-2e + o2 = c8ooh3-oo5-2 7.54E+12 0 0 c8ooh3-2f + o2 = c8ooh3-oo6-2 7.54E+12 0 0 c8ooh3-2g + o2 = c8ooh3-oo7-2 4.52E+12 0 0 c8ooh4-2a + o2 = c8ooh4-oo1-2 4.52E+12 0 0 c8ooh4-2b + o2 = c8ooh4-oo2-2 1.41E+13 0 0 c8ooh4-2c + o2 = c8ooh4-oo3-2 7.54E+12 0 0 c8ooh4-2e + o2 = c8ooh4-oo5-2 7.54E+12 0 0 c8ooh4-2f + o2 = c8ooh4-oo6-2 7.54E+12 0 0 c8ooh4-2g + o2 = c8ooh4-oo7-2 4.52E+12 0 0 c8ooh5-2a + o2 = c8ooh5-oo1-2 4.52E+12 0 0 c8ooh5-2b + o2 = c8ooh5-oo2-2 1.41E+13 0 0 c8ooh5-2c + o2 = c8ooh5-oo3-2 7.54E+12 0 0 c8ooh5-2d + o2 = c8ooh5-oo4-2 7.54E+12 0 0 c8ooh5-2f + o2 = c8ooh5-oo6-2 7.54E+12 0 0 c8ooh5-2g + o2 = c8ooh5-oo7-2 4.52E+12 0 0 c8ooh6-2b + o2 = c8ooh6-oo2-2 1.41E+13 0 0 c8ooh6-2c + o2 = c8ooh6-oo3-2 7.54E+12 0 0 c8ooh6-2d + o2 = c8ooh6-oo4-2 7.54E+12 0 0 c8ooh6-2e + o2 = c8ooh6-oo5-2 7.54E+12 0 0 c8ooh6-2g + o2 = c8ooh6-oo7-2 4.52E+12 0 0 c8ooh7-2c + o2 = c8ooh7-oo3-2 7.54E+12 0 0 c8ooh7-2d + o2 = c8ooh7-oo4-2 7.54E+12 0 0 c8ooh7-2e + o2 = c8ooh7-oo5-2 7.54E+12 0 0 c8ooh7-2f + o2 = c8ooh7-oo6-2 7.54E+12 0 0 ! ! ! !! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! class 27 decomposition of peroxyalkylhydroperoxide to form ketohydroperoxide s(ket) plus oh ! .ooqooh = ketohydroperoxide + oh ! (1st number is ketene group; 2nd number is ooh group) ! ! ! ! ! c7ooh1-oo1-2 = c7ket1-1-2 + oh 2.50e+10 0.00 2.100e+04 c7ooh1-oo2-2 = c7ket1-2-2 + oh 2.00e+11 0.00 2.600e+04 c7ooh1-oo3-2 = c7ket1-3-2 + oh 2.50e+10 0.00 2.100e+04 c7ooh1-oo4-2 = c7ket1-4-2 + oh 3.125e+09 0.00 1.895E+04 c7ooh1-oo5-2 = c7ket1-5-2 + oh 3.906e+08 0.00 2.215E+04 c7ooh3-oo1-2 = c7ket3-1-2 + oh 1.250e+10 0.00 1.745E+04 c7ooh3-oo2-2 = c7ket3-2-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh3-oo4-2 = c7ket3-4-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh3-oo5-2 = c7ket3-5-2 + oh 1.250e+10 0.00 1.745E+04 c7ooh3-oo6-2 = c7ket3-6-2 + oh 1.56e+09 0.00 1.565e+04 c7ooh4-oo1-2 = c7ket4-1-2 + oh 1.56e+09 0.00 1.565e+04 c7ooh4-oo2-2 = c7ket4-2-2 + oh 1.250e+10 0.00 1.745E+04 c7ooh4-oo3-2 = c7ket4-3-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh4-oo5-2 = c7ket4-5-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh4-oo6-2 = c7ket4-6-2 + oh 1.250e+10 0.00 1.745E+04 c7ooh5-oo1-2 = c7ket5-1-2 + oh 1.96e+08 0.00 1.865e+04 c7ooh5-oo2-2 = c7ket5-2-2 + oh 1.56e+09 0.00 1.565e+04 c7ooh5-oo3-2 = c7ket5-3-2 + oh 1.250e+10 0.00 1.745E+04 c7ooh5-oo4-2 = c7ket5-4-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh5-oo6-2 = c7ket5-6-2 + oh 1.000e+11 0.00 2.345E+04 c7ooh6-oo2-2 = c7ket6-2-2 + oh 3.906e+08 0.00 2.215E+04 c7ooh6-oo3-2 = c7ket6-3-2 + oh 3.125e+09 0.00 1.895E+04 c7ooh6-oo4-2 = c7ket6-4-2 + oh 2.500e+10 0.00 2.100E+04 c7ooh6-oo5-2 = c7ket6-5-2 + oh 2.00e+11 0.00 2.600e+04 ! !! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! class 27 decomposition of peroxyalkylhydroperoxide to form ketohydroperoxide s(ket) plus oh ! .ooqooh = ketohydroperoxide + oh ! (1st number is ketene group; 2nd number is ooh group) ! ! ! ! ! c8ooh1-oo1-2 = c8ket1-1-2 + oh 2.50e+10 0.00 2.100e+04 c8ooh1-oo2-2 = c8ket1-2-2 + oh 2.00e+11 0.00 2.600e+04 c8ooh1-oo3-2 = c8ket1-3-2 + oh 2.50e+10 0.00 2.100e+04 c8ooh1-oo4-2 = c8ket1-4-2 + oh 3.125e+09 0.00 1.895E+04 c8ooh1-oo5-2 = c8ket1-5-2 + oh 3.90e+08 0.00 2.26e+04 c8ooh3-oo1-2 = c8ket3-1-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh3-oo2-2 = c8ket3-2-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh3-oo4-2 = c8ket3-4-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh3-oo5-2 = c8ket3-5-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh3-oo6-2 = c8ket3-6-2 + oh 1.56e+09 0.00 1.565e+04 c8ooh3-oo7-2 = c8ket3-7-2 + oh 1.96e+08 0.00 1.865e+04 c8ooh4-oo1-2 = c8ket4-1-2 + oh 1.56e+09 0.00 1.565e+04 c8ooh4-oo2-2 = c8ket4-2-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh4-oo3-2 = c8ket4-3-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh4-oo5-2 = c8ket4-5-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh4-oo6-2 = c8ket4-6-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh4-oo7-2 = c8ket4-7-2 + oh 1.56e+09 0.00 1.565e+04 c8ooh5-oo1-2 = c8ket5-1-2 + oh 1.96e+08 0.00 1.865e+04 c8ooh5-oo2-2 = c8ket5-2-2 + oh 1.56e+09 0.00 1.565e+04 c8ooh5-oo3-2 = c8ket5-3-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh5-oo4-2 = c8ket5-4-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh5-oo6-2 = c8ket5-6-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh5-oo7-2 = c8ket5-7-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh6-oo2-2 = c8ket6-2-2 + oh 1.96e+08 0.00 1.865e+04 c8ooh6-oo3-2 = c8ket6-3-2 + oh 1.56e+09 0.00 1.565e+04 c8ooh6-oo4-2 = c8ket6-4-2 + oh 1.250e+10 0.00 1.745E+04 c8ooh6-oo5-2 = c8ket6-5-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh6-oo7-2 = c8ket6-7-2 + oh 1.000e+11 0.00 2.345E+04 c8ooh7-oo3-2 = c8ket7-3-2 + oh 3.906e+08 0.00 2.215E+04 c8ooh7-oo4-2 = c8ket7-4-2 + oh 3.125e+09 0.00 1.895E+04 c8ooh7-oo5-2 = c8ket7-5-2 + oh 2.500e+10 0.00 2.100E+04 c8ooh7-oo6-2 = c8ket7-6-2 + oh 2.00e+11 0.00 2.600e+04 ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! ! class 28 ketohydroperoxide decomposition ! ! ! ! ! ! ! c7ket1-1-2 = ch2o + c2h3cho + oh + nc3h7 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket1-2-2 = ch3co + hco + oh + pc4h9 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket1-3-2 = ch3chcho + oh + nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket1-4-2 = ic3h6cho + oh + c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket1-5-2 = c4h8cho4-2 + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket3-1-2 = ch2o + nc3h7coc2h4s + oh 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket3-2-2 = ch3coch3 + oh + nc3h7co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket3-4-2 = c2h5cho + oh + ic3h7co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket3-5-2 = ic3h7coch2 + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket3-6-2 = ic3h7coc2h4p + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket4-1-2 = ch2o + oh + c3h6 + c2h5co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket4-2-2 = ch3coch3 + oh + c2h5coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket4-3-2 = ic3h7cho + oh + c2h5co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket4-5-2 = ic4h9co + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket4-6-2 = ic4h9coch2 + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket5-1-2 = ch2o + oh + c3h6 + ch3coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket5-2-2 = ch3coch3 + oh + ch2ch2coch3 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket5-3-2 = ic3h7cho + oh + ch3coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket5-4-2 = ic4h9cho + oh + ch3co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket5-6-2 = ic5h11co + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket6-2-2 = ch3coch3 + oh + c3h6cho-1 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket6-3-2 = ic3h7cho + oh + ch2ch2cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket6-4-2 = ic4h9cho + oh + ch2cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c7ket6-5-2 = ic5h11cho + oh + hco 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! class 28 ketohydroperoxide decomposition ! ! ! ! ! ! ! c8ket1-1-2 = ch2o + c2h3cho + oh + pc4h9 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-2-2 = ch3co + hco + oh + c5h11-1 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-3-2 = ch3chcho + oh + nc4h9cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-4-2 = ic3h6cho + oh + nc3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-5-2 = c4h8cho4-2 + oh + c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-1-2 = ch2o + oh + nc4h9coc2h4p 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-2-2 = ch3coch3 + oh + nc4h9co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-4-2 = c2h5cho + oh + ic4h9co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-5-2 = ic3h7coch2 + oh + c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-6-2 = ic3h7coc2h4p + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-7-2 = ic3h7coc3h6p + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket4-1-2 = ch2o + oh + c3h6 + nc3h7co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket4-2-2 = ch3coch3 + oh + nc3h7coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 47410 / c8ket4-3-2 = ic3h7cho + oh + nc3h7co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket4-5-2 = ic4h9co + oh + c2h5cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket4-6-2 = ic4h9coch2 + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket4-7-2 = ic4h9coc2h4p + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-1-2 = ch2o + oh + c3h6 + c2h5coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-2-2 = ch3coch3 + oh + c2h5coc2h4p 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-3-2 = ic3h7cho + oh + c2h5coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-4-2 = ic4h9cho + oh + c2h5co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-6-2 = ic5h11co + oh + ch3cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket5-7-2 = ic5h11coch2 + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket6-2-2 = ch3coch3 + oh + c3h6coch3-1 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket6-3-2 = ic3h7cho + oh + ch2ch2coch3 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket6-4-2 = ic4h9cho + oh + ch3coch2 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket6-5-2 = ic5h11cho + oh + ch3co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket6-7-2 = ic6h13co + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket7-3-2 = ic3h7cho + oh + c3h6cho-1 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket7-4-2 = ic4h9cho + oh + ch2ch2cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket7-5-2 = ic5h11cho + oh + ch2cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket7-6-2 = ic6h13cho + oh + hco 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / ! ! ! ! 2-methylhexane ! ! ! ! ! ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! c7h14o1-1-2 + oh = c6h12-1 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-1-2 + oh = c6h111-6 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-2-2 + oh = c6h111-6 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-2-2 + oh = nc3h7 + ic3h5cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-3-2 + oh = c6h12-2 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-3-2 + oh = nc3h7co + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-4-2 + oh = c4h8-1 + ch3chcho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-4-2 + oh = c2h5coch2 + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-5-2 + oh = c3h6 + ic3h6cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o1-5-2 + oh = ch2ch2coch3 + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c7h14o2-3-2 + oh = nc3h7cho + c3h5-t + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-3-2 + oh = nc3h7 + ic3h6co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-4-2 + oh = c2h5cho + ic4h7 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-4-2 + oh = c2h5co + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-5-2 + oh = ch3cho + ic5h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-5-2 + oh = ch3coch2 + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-6-2 + oh = ch2o + ic6h11 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o2-6-2 + oh = ch2ch2cho + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c7h14o3-4-2 + oh = ch3 + ic3h7coc2h3 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o3-4-2 + oh = c2h5 + ic3h7chco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o3-5-2 + oh = c3h6 + ic3h7co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o3-5-2 + oh = ch3co + cc5h10 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o3-6-2 + oh = c2h4 + ic3h7coch2 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o3-6-2 + oh = ch2cho + cc5h10 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c7h14o4-5-2 + oh = ch3chco + ic4h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o4-5-2 + oh = c2h3coch3 + ic3h7 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o4-6-2 + oh = c2h4 + ic4h9co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o4-6-2 + oh = hco + dc6h12 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c7h14o5-6-2 + oh = ch2co + dc5h11 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c7h14o5-6-2 + oh = c2h3cho + ic4h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! ! ! ! ! ! ! ! 2-methylheptane ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! c8h16o1-1-2 + oh = c7h14-1 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o1-1-2 + oh = c7h131-7 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-2 + oh = c7h131-7 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-2 + oh = pc4h9 + ic3h5cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-2 + oh = c7h14-2 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-2 + oh = nc4h9co + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-2 + oh = c5h10-1 + ch3chcho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-2 + oh = nc3h7coch2 + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-5-2 + oh = c4h8-1 + ic3h6cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o1-5-2 + oh = c2h5coc2h4p + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o2-3-2 + oh = nc4h9cho + c3h5-t + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-3-2 + oh = pc4h9+ ic3h6co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-4-2 + oh = nc3h7cho + ic4h7 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-4-2 + oh = nc3h7co + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-5-2 + oh = c2h5cho + ic5h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-5-2 + oh = c2h5coch2 + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-6-2 + oh = ch3cho + ic6h11 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-6-2 + oh = ch2ch2coch3 + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o3-4-2 + oh = c2h5 + ic3h7coc2h3 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-4-2 + oh = nc3h7 + ic3h7chco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-5-2 + oh = c4h8-1 + ic3h7co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-5-2 + oh = c2h5co + cc5h10 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-6-2 + oh = c3h6 + ic3h7coch2 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-6-2 + oh = ch3coch2 + cc5h10 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-7-2 + oh = c2h4 + ic3h7coc2h4p + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o3-7-2 + oh = ch2ch2cho + cc5h10 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o4-5-2 + oh = c2h5chco + ic4h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o4-5-2 + oh = c2h5coc2h3 + ic3h7 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o4-6-2 + oh = c3h6 + ic4h9co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o4-6-2 + oh = ch3co + dc6h12 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o4-7-2 + oh = ch2cho + dc6h12 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o4-7-2 + oh = c2h4 + ic4h9coch2 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o5-6-2 + oh = ch3chco + dc5h11 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o5-6-2 + oh = c2h3coch3 + ic4h9 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o5-7-2 + oh = hco + c7h14-5-2 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o5-7-2 + oh = c2h4 + ic5h11co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o6-7-2 + oh = c2h3cho + dc5h11 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o6-7-2 + oh = ch2co + ec6h13 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! c7h14o1-1-2 + ho2 = c6h12-1 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-1-2 + ho2 = c6h111-6 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-2-2 + ho2 = c6h111-6 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-2-2 + ho2 = nc3h7 + ic3h5cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-3-2 + ho2 = c6h12-2 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-3-2 + ho2 = nc3h7co + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-4-2 + ho2 = c4h8-1 + ch3chcho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-4-2 + ho2 = c2h5coch2 + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-5-2 + ho2 = c3h6 + ic3h6cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o1-5-2 + ho2 = ch2ch2coch3 + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c7h14o2-3-2 + ho2 = nc3h7cho + c3h5-t + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-3-2 + ho2 = nc3h7 + ic3h6co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-4-2 + ho2 = c2h5cho + ic4h7 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-4-2 + ho2 = c2h5co + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-5-2 + ho2 = ch3cho + ic5h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-5-2 + ho2 = ch3coch2 + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-6-2 + ho2 = ch2o + ic6h11 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o2-6-2 + ho2 = ch2ch2cho + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c7h14o3-4-2 + ho2 = ch3 + ic3h7coc2h3 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o3-4-2 + ho2 = c2h5 + ic3h7chco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o3-5-2 + ho2 = c3h6 + ic3h7co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o3-5-2 + ho2 = ch3co + cc5h10 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o3-6-2 + ho2 = c2h4 + ic3h7coch2 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o3-6-2 + ho2 = ch2cho + cc5h10 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c7h14o4-5-2 + ho2 = ch3chco + ic4h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o4-5-2 + ho2 = c2h3coch3 + ic3h7 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o4-6-2 + ho2 = c2h4 + ic4h9co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o4-6-2 + ho2 = hco + dc6h12 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c7h14o5-6-2 + ho2 = ch2co + dc5h11 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c7h14o5-6-2 + ho2 = c2h3cho + ic4h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! ! 2-methylheptane ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! c8h16o1-1-2 + ho2 = c7h14-1 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o1-1-2 + ho2 = c7h131-7 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-2 + ho2 = c7h131-7 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-2 + ho2 = pc4h9 + ic3h5cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-2 + ho2 = c7h14-2 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-2 + ho2 = nc4h9co + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-2 + ho2 = c5h10-1 + ch3chcho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-2 + ho2 = nc3h7coch2 + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-5-2 + ho2 = c4h8-1 + ic3h6cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o1-5-2 + ho2 = c2h5coc2h4p + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o2-3-2 + ho2 = nc4h9cho + c3h5-t + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-3-2 + ho2 = pc4h9+ ic3h6co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-4-2 + ho2 = nc3h7cho + ic4h7 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-4-2 + ho2 = nc3h7co + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-5-2 + ho2 = c2h5cho + ic5h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-5-2 + ho2 = c2h5coch2 + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-6-2 + ho2 = ch3cho + ic6h11 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-6-2 + ho2 = ch2ch2coch3 + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o3-4-2 + ho2 = c2h5 + ic3h7coc2h3 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-4-2 + ho2 = nc3h7 + ic3h7chco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-5-2 + ho2 = c4h8-1 + ic3h7co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-5-2 + ho2 = c2h5co + cc5h10 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-6-2 + ho2 = c3h6 + ic3h7coch2 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-6-2 + ho2 = ch3coch2 + cc5h10 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-7-2 + ho2 = c2h4 + ic3h7coc2h4p + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o3-7-2 + ho2 = ch2ch2cho + cc5h10 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o4-5-2 + ho2 = c2h5chco + ic4h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o4-5-2 + ho2 = c2h5coc2h3 + ic3h7 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o4-6-2 + ho2 = c3h6 + ic4h9co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o4-6-2 + ho2 = ch3co + dc6h12 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o4-7-2 + ho2 = ch2cho + dc6h12 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o4-7-2 + ho2 = c2h4 + ic4h9coch2 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o5-6-2 + ho2 = ch3chco + dc5h11 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o5-6-2 + ho2 = c2h3coch3 + ic4h9 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o5-7-2 + ho2 = hco + c7h14-5-2 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o5-7-2 + ho2 = c2h4 + ic5h11co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o6-7-2 + ho2 = c2h3cho + dc5h11 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o6-7-2 + ho2 = ch2co + ec6h13 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! ! ! ! ! ! ! ! ! class 30 miscellaneous reactions ! ! ! large aldehydes ! simplified consumption mechanisms for aldehydes larger than nc5 ! ! ! ! ! c4h8cho4-2 = c2h4+ch3chcho 1.031e+15 -0.62 2.317e+04 rev / 1.000e+11 0.00 7.800e+03 / ! ! ! ! ! ! ! nc8h17cho + o2 = nc8h17co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc8h17cho + oh = nc8h17co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc8h17cho+h = nc8h17co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc8h17cho+o = nc8h17co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc8h17cho+ho2 = nc8h17co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc8h17cho+ch3 = nc8h17co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc8h17cho+ch3o = nc8h17co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc8h17cho+ch3o2 = nc8h17co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc8h17co = c8h17-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! nc7h15cho + o2 = nc7h15co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc7h15cho + oh = nc7h15co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc7h15cho+h = nc7h15co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc7h15cho+o = nc7h15co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc7h15cho+ho2 = nc7h15co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc7h15cho+ch3 = nc7h15co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc7h15cho+ch3o = nc7h15co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc7h15cho+ch3o2 = nc7h15co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc7h15co = c7h15-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! nc6h13cho + o2 = nc6h13co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc6h13cho + oh = nc6h13co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc6h13cho+h = nc6h13co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc6h13cho+o = nc6h13co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc6h13cho+ho2 = nc6h13co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc6h13cho+ch3 = nc6h13co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc6h13cho+ch3o = nc6h13co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc6h13cho+ch3o2 = nc6h13co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc6h13co = c6h13-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ! ! ic8h17cho + o2 = ic8h17co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic8h17cho + oh = ic8h17co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic8h17cho+h = ic8h17co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic8h17cho+o = ic8h17co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic8h17cho+ho2 = ic8h17co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic8h17cho+ch3 = ic8h17co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic8h17cho+ch3o = ic8h17co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic8h17cho+ch3o2 = ic8h17co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic8h17co = c8h17-2g+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ic7h15cho + o2 = ic7h15co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic7h15cho + oh = ic7h15co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic7h15cho+h = ic7h15co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic7h15cho+o = ic7h15co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic7h15cho+ho2 = ic7h15co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic7h15cho+ch3 = ic7h15co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic7h15cho+ch3o = ic7h15co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic7h15cho+ch3o2 = ic7h15co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic7h15co = c7h15-2f+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ic6h13cho + o2 = ic6h13co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic6h13cho + oh = ic6h13co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic6h13cho+h = ic6h13co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic6h13cho+o = ic6h13co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic6h13cho+ho2 = ic6h13co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic6h13cho+ch3 = ic6h13co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic6h13cho+ch3o = ic6h13co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic6h13cho+ch3o2 = ic6h13co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic6h13co = ec6h13+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ic5h11cho + o2 = ic5h11co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic5h11cho + oh = ic5h11co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic5h11cho+h = ic5h11co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic5h11cho+o = ic5h11co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic5h11cho+ho2 = ic5h11co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic5h11cho+ch3 = ic5h11co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic5h11cho+ch3o = ic5h11co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic5h11cho+ch3o2 = ic5h11co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic5h11co = dc5h11+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ic4h9cho + o2 = ic4h9co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic4h9cho + oh = ic4h9co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic4h9cho+h = ic4h9co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic4h9cho+o = ic4h9co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic4h9cho+ho2 = ic4h9co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic4h9cho+ch3 = ic4h9co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic4h9cho+ch3o = ic4h9co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic4h9cho+ch3o2 = ic4h9co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic4h9co = ic4h9+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ! ! ! ! ! ! ! ! nc3h7coc2h3+h = h2+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3 + oh = h2o+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+o = oh+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+ho2 = h2o2+c3h6+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc3h7coc2h3+h = h2+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3 + oh = h2o+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+o = oh+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+ho2 = h2o2+c2h5chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc4h9coc2h3+h = h2+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3 + oh = h2o+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+o = oh+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+ho2 = h2o2+c4h8-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc4h9coc2h3+h = h2+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3 + oh = h2o+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+o = oh+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+ho2 = h2o2+nc3h7chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc5h11coc2h3+h = h2+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3 + oh = h2o+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+o = oh+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+ho2 = h2o2+c5h10-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc5h11coc2h3+h = h2+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3 + oh = h2o+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+o = oh+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+ho2 = h2o2+nc4h9chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc6h13coc2h3+h = h2+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3 + oh = h2o+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+o = oh+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+ho2 = h2o2+c6h12-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc6h13coc2h3+h = h2+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3 + oh = h2o+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+o = oh+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+ho2 = h2o2+nc5h11chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc7h15coc2h3+h = h2+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3 + oh = h2o+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+o = oh+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+ho2 = h2o2+c7h14-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc7h15coc2h3+h = h2+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3 + oh = h2o+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+o = oh+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+ho2 = h2o2+nc6h13chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc8h17coc2h3+h = h2+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3 + oh = h2o+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+o = oh+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+ho2 = h2o2+c8h16-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc8h17coc2h3+h = h2+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3 + oh = h2o+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+o = oh+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+ho2 = h2o2+nc7h15chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc3h7chco+h = h2+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+o = oh+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco + oh = h2o+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+ho2 = h2o2+c3h6+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc3h7chco+h = pc4h9+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+o = c4h8-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco + oh = pc4h9+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc4h9chco+h = h2+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+o = oh+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco + oh = h2o+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+ho2 = h2o2+c4h8-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc4h9chco+h = c5h11-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+o = c5h10-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco + oh = c5h11-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc5h11chco+h = h2+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+o = oh+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco + oh = h2o+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+ho2 = h2o2+c5h10-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc5h11chco+h = c6h13-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+o = c6h12-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco + oh = c6h13-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc6h13chco+h = h2+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+o = oh+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco + oh = h2o+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+ho2 = h2o2+c6h12-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc6h13chco+h = c7h15-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+o = c7h14-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco + oh = c7h15-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc7h15chco+h = h2+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+o = oh+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco + oh = h2o+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+ho2 = h2o2+c7h14-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc7h15chco+h = c8h17-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+o = c8h16-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco + oh = c8h17-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! ! ! ! ic3h7chco+h = h2+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+o = oh+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco + oh = h2o+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+ho2 = h2o2+c3h6+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ic3h7chco+h = pc4h9+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+o = c4h8-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco + oh = pc4h9+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! ! decomposition of large radicals ! ! ! nc8h17coch2 = c8h17-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc7h15coch2 = c7h15-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc6h13coch2 = c6h13-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc5h11coch2 = c5h11-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ! ic8h17coch2 = c8h17-2f+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic7h15coch2 = c7h15-2e+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic6h13coch2 = dc6h13+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic5h11coch2 = cc5h11+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic4h9coch2 = pc4h9+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic3h7coch2 = ic3h7+ch2co 2.880e+15 -0.54 3.994e+04 rev / 8.000e+10 0.00 1.060e+04 / ! nc8h17coc2h4p = nc8h17co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc7h15coc2h4p = nc7h15co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc6h13coc2h4p = nc6h13co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc5h11coc2h4p = nc5h11co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc4h9coc2h4p = nc4h9co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! ic8h17coc2h4p = ic8h17co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic7h15coc2h4p = ic7h15co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic6h13coc2h4p = ic6h13co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic5h11coc2h4p = ic5h11co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic4h9coc2h4p = ic4h9co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! nc8h17coc3h6p = nc8h17coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc7h15coc3h6p = nc7h15coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc6h13coc3h6p = nc6h13coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc5h11coc3h6p = nc5h11coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc4h9coc3h6p = nc4h9coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc3h7coc3h6p = nc3h7coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! ic8h17coc3h6p = ic8h17coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic7h15coc3h6p = ic7h15coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic6h13coc3h6p = ic6h13coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic5h11coc3h6p = ic5h11coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic4h9coc3h6p = ic4h9coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic3h7coc3h6p = ic3h7coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! c5 submechanism from westbrooks 2methylheptane mech for ac5h11, bc5h11, cc5h11, dc5h11, ac5h10, bc5h10, cc5h10, ic5h11 ac5h11 = c3h6+c2h5 1.028e+18 -1.19 3.144e+04 rev / 1.500e+11 0.00 1.060e+04 / ac5h11 = c4h8-1+ch3 1.094e+16 -0.86 2.980e+04 rev / 1.500e+11 0.00 9.200e+03 / ac5h11 = ac5h10+h 4.550e+16 -0.92 3.637e+04 rev / 1.000e+13 0.00 3.200e+03 / ac5h11 + o2 = ac5h10+ho2 1.500e-19 0.00 2.000e+03 rev / 2.000e-19 0.00 1.750e+04 / ac5h11 = dc5h11 3.000e+11 0.00 2.110e+04 rev / 3.000e+11 0.00 2.110e+04 / bc5h11 = ic4h8+ch3 1.033e+14 -0.32 2.854e+04 rev / 3.300e+11 0.00 7.200e+03 / bc5h11 = ac5h10+h 1.042e+15 -0.39 3.870e+04 rev / 1.000e+13 0.00 1.200e+03 / bc5h11 = bc5h10+h 2.976e+15 -0.63 3.744e+04 rev / 1.000e+13 0.00 2.900e+03 / bc5h11 + o2 = ac5h10+ho2 9.000e-19 0.00 5.020e+03 rev / 2.000e-19 0.00 1.750e+04 / bc5h11 + o2 = bc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / cc5h11 = c4h8-2+ch3 1.067e+15 -0.77 2.936e+04 rev / 1.500e+11 0.00 9.200e+03 / cc5h11 = bc5h10+h 8.732e+15 -0.83 3.592e+04 rev / 1.000e+13 0.00 3.200e+03 / cc5h11 = cc5h10+h 1.478e+15 -0.56 4.000e+04 rev / 1.000e+13 0.00 2.900e+03 / cc5h11 + o2 = bc5h10+ho2 1.500e-19 0.00 2.000e+03 rev / 2.000e-19 0.00 1.750e+04 / cc5h11 + o2 = cc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / dc5h11 = c2h4+ic3h7 1.138e+15 -0.42 2.701e+04 rev / 3.300e+11 0.00 7.200e+03 / dc5h11 = cc5h10+h 2.199e+16 -0.90 3.748e+04 rev / 1.000e+13 0.00 2.900e+03 / dc5h11 + o2 = cc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / ac5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / bc5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / cc5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / ac5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / bc5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / cc5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / ac5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / bc5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / cc5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / ac5h10+o = ic5h9 + oh 3.700e+05 2.56 -1.130e+03 rev / 1.000e+12 0.00 2.500e+04 / bc5h10+o = ic5h9 + oh 3.700e+05 2.56 -1.130e+03 rev / 1.000e+12 0.00 2.500e+04 / ic5h9 = c3h4-a+c2h5 1.983e+20 -1.63 5.924e+04 rev / 2.000e+11 0.00 8.300e+03 / bc5h10 = ch3+c4h72-2 2.500E+16 0.00 7.100E+04 cc5h10 = ch3+c4h72-2 2.500E+16 0.00 7.100E+04 !c6 submechanism from westbrook's 2methylheptane mechanism for ec6h13, dc6h13, dc6h12, cc6h12, and ic6h11 dc6h13 = ic3h7+c3h6 4.803e+13 -0.03 2.790e+04 rev/ 1.000e+11 0.00 7.800e+03 / dc6h13 = cc6h12+h 4.770e+15 -0.73 3.786e+04 rev/ 1.600e+13 0.00 2.900e+03 / dc6h13 = dc6h12+h 2.237e+15 -0.55 3.876e+04 rev/ 1.600e+13 0.00 1.200e+03 / ec6h13 = ic4h9+c2h4 1.616e+18 -1.56 3.040e+04 rev/ 1.700e+11 0.00 7.800e+03 / ec6h13 = dc6h12+h 3.314e+16 -0.89 3.795e+04 rev/ 1.600e+13 0.00 2.900e+03 / ! dc6h13 + o2 = cc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / dc6h13 + o2 = dc6h12+ho2 4.500e-19 0.00 5.020e+03 rev/ 2.000e-19 0.00 1.750e+04 / ec6h13 + o2 = dc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / ! cc6h12 + oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 8.986e+14 -0.06 3.864e+04 / dc6h12 + oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 4.214e+14 0.11 4.124e+04 / ! cc6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 2.560e+14 -0.06 2.615e+04 / dc6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 1.200e+14 0.11 2.875e+04 / ! cc6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 1.807e+14 -0.06 3.003e+04 / dc6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 8.476e+13 0.11 3.263e+04 / ! cc6h12+o = ic6h11 + oh 2.304e+11 0.06 9.745e+03 rev/ 7.000e+11 0.00 2.990e+04 / dc6h12+o = ic6h11 + oh 4.912e+11 -0.11 7.145e+03 rev/ 7.000e+11 0.00 2.990e+04 / ! ic6h11 = c3h6+c3h5-a 2.500e+13 0.00 4.500e+04 rev/ 0.000 0.00 0.000 / ! ! cc6h12 + oh = ic4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000 0.00 0.000 / dc6h12 + oh = dc5h11+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000 0.00 0.000 / ! cc6h12+o = ic4h9+ch3co 1.000e+11 0.00 -1.050e+03 rev/ 0.000 0.00 0.000 / dc6h12+o = dc5h11+hco 1.000e+11 0.00 -1.050e+03 rev/ 0.000 0.00 0.000 / ! cc6h12 = ch3+ic5h9 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000 / dc6h12 = ic3h7+c3h5-a 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000 / ! ! !ch3chcho chemistry ch3chcho+ho2 = c2h5cho + o2 7.350e+12 0.00 1.310e+03 rev / 8.071e+13 -0.08 4.507e+04 / ch3chcho+ho2 = ch3chocho + oh 9.640e+12 0.00 0.000e+00 rev / 1.552e+16 -0.96 2.174e+04 / ch3chocho = ch3cho+hco 3.980e+13 0.00 9.700e+03 rev / 4.335e+05 1.72 8.282e+03 / ch3chcho = c2h3cho+h 3.515e+15 -0.51 4.106e+04 rev / 6.500e+12 0.00 2.900e+03 / ch3chcho = ch3chco+h 1.135e+16 -0.66 4.031e+04 rev / 5.000e+12 0.00 1.200e+03 / ch3chcho+h2 = c2h5cho+h 2.160e+05 2.38 1.899e+04 rev / 4.309e+04 2.63 5.265e+03 / c2h5cho+ho2 = ch3chcho+h2o2 8.000e+10 0.00 1.192e+04 rev / 1.031e+13 -0.57 9.337e+03 / ch3chcho + o2 = ch3chco+ho2 1.810e+11 0.00 1.840e+03 rev / 2.731e+10 -0.01 1.269e+04 / ch3chcho + o2 = c2h3cho+ho2 2.725e+11 0.00 7.240e+03 rev / 1.726e+11 -0.16 1.904e+04 / ch3chcho + o2 = ch3cho+co + oh 3.620e+10 0.00 0.000e+00 rev / 0.000e+00 0.00 0.000e+00 / ! ! ic3h7coc2h3 + oh = ic3h6coc2h3+h2o 1.530e+08 1.53 8.775e+03 rev / 3.039e+07 1.53 2.821e+04 / ic3h7coc2h3 + oh = tc3h6coc2h3+h2o 1.684e+12 0.00 -7.810e+02 rev / 1.073e+10 0.49 2.321e+04 / ic3h7coc2h3 + oh = ch3cho+ic3h7co 1.530e+08 1.53 8.775e+03 rev / 1.013e+03 2.76 2.841e+04 / ic3h7coc2h3+ho2 = ic3h6coc2h3+h2o2 2.740e+04 2.55 1.550e+04 rev / 3.231e+04 2.22 3.467e+03 / ic3h7coc2h3+ho2 = tc3h6coc2h3+h2o2 8.000e+10 0.00 1.192e+04 rev / 3.027e+09 0.16 4.451e+03 / ic3h7coc2h3+ho2 = ch2cho+ic3h7co + oh 6.030e+09 0.00 7.949e+03 rev / 1.000e+00 0.00 0.000e+00 / ic3h7coc2h3+ch3o2 = ic3h6coc2h3+ch3o2h 2.000e+04 2.55 1.550e+04 rev / 9.691e+04 2.04 2.747e+03 / ic3h7coc2h3+ch3o2 = tc3h6coc2h3+ch3o2h 3.610e+03 2.55 8.032e+03 rev / 5.612e+02 2.53 -1.568e+02 / ic3h7coc2h3+ch3o2 = ch2cho+ic3h7co+ch3o 3.970e+11 0.00 1.705e+04 rev / 1.000e+00 0.00 0.000e+00 / ic3h6coc2h3 = c3h6+c2h3co 1.119e+17 -1.24 2.060e+04 rev / 8.000e+10 0.00 1.060e+04 / tc3h6coc2h3 = ic3h6co+c2h3 1.460e+13 -0.06 4.725e+04 rev / 8.000e+10 0.00 1.160e+04 / ! ! !!!! class 23 Additional reactions for ooh group on tertiary site !!! ! c7ooh2-oo4-2 = c2h4 + oh + ic5ketdb 3.75e+10 0.00 2.400e+04 !6m,p rev/ 0.000E+00 0.000 0.000E+00 / ! ! c7ooh2-oo3-2 = c3h6 + oh + ic4ketit 2.50e+10 0.00 2.045e+04 !6m,s rev/ 0.000E+00 0.000 0.000E+00 / ! ! ! ! c8ooh2-oo4-2 = c3h6 + oh + ic5ketdb 2.50e+10 0.00 2.045e+04 !6m,s rev/ 0.000E+00 0.000 0.000E+00 / c8ooh2-oo5-2 = c2h4 + oh + ic6keteb 3.75e+10 0.00 2.400e+04 !6m,p rev/ 0.000E+00 0.000 0.000E+00 / ! ! c8ooh2-oo3-2 = c4h8-1 + oh + ic4ketit 2.50e+10 0.00 2.045e+04 !6m,s rev/ 0.000E+00 0.000 0.000E+00 / ! ! ! ! ic5ketdb<=>ch3coch3+ch2cho+oh 1.000E+16 0.000 3.900E+04 rev/ 0.000E+00 0.000 0.000E+00 / ic6keteb<=>ch3coch3+ch2ch2cho+oh 1.000E+16 0.000 3.900E+04 rev/ 0.000E+00 0.000 0.000E+00 / ! end