| blob | 044d75306b660b69b52cbd72da2b8ed0b4fcb7ec |
1 ELEMENTS
2 H O C N AR
3 END
4 SPECIE
5 C7H16 O2 N2 CO CO2
6 H H2 O H2O OH
7 HO2 H2O2 CH4 CH3 CH3O
8 CH2 CH2O CH3O2 CH4O2 HCO HCCO CH2CO
9 C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2
10 C7KET21 C6H12 C5H11CHO C5H11CO C5H11
11 C4H9 C4H C4H2 C4H3
12 C3H7 C3H6 C3H5 C3H4 C3H3 C3H2
13 C2H C2H2 C2H3 C2H4 C2H5 C2H6
14 N2O NO N
15 C3H8 CH2CHO CH3CHO CH3CO CH2OH
16 !A1 A1- C(S)
17 AR
18 THERMO ! 1995 NASA COMPILATION + CURRAN DATA
19 CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
20 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
21 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
22 -0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
23 CH4O2 T11/96C 1H 4O 2 0G 200.000 6000.000 1
24 6.86907934E+00 1.00840883E-02-3.66515947E-06 5.96302681E-10-3.58894156E-14 2
25 -1.98402231E+04-1.24951986E+01 3.72654981E+00 7.51851847E-03 2.35970425E-05 3
26 -3.52694507E-08 1.42757614E-11-1.83982011E+04 6.52443362E+00-1.68074366E+04 4
27 C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
28 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
29 -0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
30 -0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
31 C2H3 T06/93C 2H 3 0 0G 200.000 6000.000 1
32 0.47025310E+01 0.72642283E-02-0.25801992E-05 0.41319944E-09-0.24591492E-13 2
33 0.34029675E+05-0.14293714E+01 0.30019602E+01 0.30304354E-02 0.24444315E-04 3
34 -0.35810242E-07 0.15108700E-10 0.34868173E+05 0.93304495E+01 0.36050230E+05 4
35 C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
36 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
37 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
38 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
39 C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
40 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
41 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
42 -3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
43 C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
44 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
45 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
46 -3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
47 C3H6 120186C 3H 6 G 0300.00 5000.00 1000.00 1
48 0.06732257E+02 0.01490834E+00-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
49 -0.09235703E+04-0.01331335E+03 0.01493307E+02 0.02092518E+00 0.04486794E-04 3
50 -0.01668912E-06 0.07158146E-10 0.01074826E+05 0.01614534E+03 4
51 C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
52 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
53 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
54 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
55 C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
56 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
57 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
58 -0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
59 C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
60 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
61 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
62 -0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
63 CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
64 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
65 -2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
66 -6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
67 CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
68 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
69 -0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
70 -0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
71 CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 1
72 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
73 -3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
74 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
75 CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 1
76 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
77 -2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
78 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
79 CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 1
80 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
81 -2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
82 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
83 CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
84 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
85 -4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
86 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
87 HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
88 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
89 -0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
90 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
91 HCOOH L 8/88C 1H 2O 2N 0G 200.000 6000.000 1
92 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
93 -4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
94 -3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
95 COOCH3 C 2H 3O 2 0G 300.000 5000.000 1
96 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
97 -0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
98 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
99 C7H16 P10/95C 7H 16 0 0G 300.000 5000.000 1391.000 1
100 2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2
101 -3.42760081e+04-9.23040196e+01-1.26836187e+00 8.54355820e-02-5.25346786e-05 3
102 1.62945721e-08-2.02394925e-12-2.56586565e+04 3.53732912e+01 4
103 C7H15-1 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
104 2.17940709e+01 3.26280243e-02-1.11138244e-05 1.72067148e-09-9.96366999e-14 2
105 -9.20938221e+03-8.64954311e+01-4.99570406e-01 8.08826467e-02-5.00532754e-05 3
106 1.56549308e-08-1.96616227e-12-1.04590223e+03 3.46564011e+01 4
107 C7H15-2 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
108 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2
109 -1.05873616e+04-8.52209653e+01-3.79155767e-02 7.56726570e-02-4.07473634e-05 3
110 9.32678943e-09-4.92360745e-13-2.35605303e+03 3.37321506e+01 4
111 C7H15O2 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
112 2.49023689e+01 3.50716920e-02-1.20440306e-05 1.87464822e-09-1.08947791e-13 2
113 -2.82976050e+04-9.73923542e+01 2.37499334e+00 8.34651906e-02-5.13897320e-05 3
114 1.64217662e-08-2.19505216e-12-1.99237961e+04 2.53067342e+01 4
115 C7H14O2H 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
116 2.70028807e+01 3.22272216e-02-1.09366516e-05 1.68977918e-09-9.77321946e-14 2
117 -2.27229231e+04-1.06332170e+02 2.49875186e+00 8.32443344e-02-4.85933986e-05 3
118 1.28927950e-08-1.09878385e-12-1.36530733e+04 2.73754005e+01 4
119 C7H14O2HO2 7/23/98 C 7.H 15.O 4. 0.G 300.000 5000.000 1
120 3.23937788e+01 3.33911097e-02-1.15672104e-05 1.81146023e-09-1.05739941e-13 2
121 -4.36321048e+04-1.32597311e+02 3.84933185e+00 9.45955097e-02-5.94934121e-05 3
122 1.78836457e-08-2.00618696e-12-3.32051631e+04 2.25912030e+01 4
123 C7KET12 7/23/98 C 7.H 14.O 3. 0.G 300.000 5000.000 1
124 2.97472906e+01 3.06622294e-02-1.05563590e-05 1.64627343e-09-9.58171675e-14 2
125 -5.66856828e+04-1.22432490e+02 5.82433697e-01 1.01207869e-01-7.65855996e-05 3
126 3.00738606e-08-4.82902792e-12-4.68054419e+04 3.33331449e+01 4
127 C7KET21 2/10/95 C 7.H 14.O 3. 0.G 300.000 5000.000 1382.000 1
128 2.80512936e+01 3.27356029e-02-1.14107044e-05 1.79404506e-09-1.05002142e-13 2
129 -5.89640173e+04-1.11392338e+02 4.19023030e+00 8.43118237e-02-5.44315814e-05 3
130 1.85837721e-08-2.72768938e-12-5.00570382e+04 1.85783455e+01 4
131 C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
132 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
133 -1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
134 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
135 C5H11CHO 2/29/96 C 6H 12O 1 0G 300.000 5000.000 1
136 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
137 -3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
138 1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
139 C5H11CO 2/29/96 C 6.H 11.O 1. 0.G 300.000 5000.000 1
140 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
141 -2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
142 1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
143 C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.000 1
144 1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
145 -5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
146 -5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
147 C4H9 P10/84C 4.H 9. 0. 0.G 200.000 6000.000 1
148 9.43040607E+00 2.34271349E-02-8.53599182E-06 1.39748355E-09-8.44057456E-14 2
149 2.14214862E+03-2.42207994E+01 3.54885235E+00 1.78747638E-02 5.00782825E-05 3
150 -7.94475071E-08 3.35802354E-11 4.74011588E+03 1.11849382E+01 6.89397210E+03 4
151 C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
152 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
153 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
154 -0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
155 C2H2 L 1/91C 2.H 2. 0. 0.G 200.000 6000.000 1
156 4.65878504E+00 4.88396547E-03-1.60828775E-06 2.46974226E-10-1.38605680E-14 2
157 2.57594044E+04-3.99834772E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
158 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 2.74459950E+04 4
159 C2H4O L 8/88C 2H 4O 1 0G 200.000 6000.000 1
160 0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2
161 -0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3
162 -0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01-0.63304657E+04 4
163 A1 MF /94C 6H 6 0 0G 300.000 4000.000 1
164 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
165 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
166 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
167 A1- MF /94C 6H 5 0 0G 300.000 4000.000 1
168 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
169 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
170 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
171 CH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1
172 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13 2
173 -0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04 3
174 -0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01 4
175 CH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1
176 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12 2
177 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04 3
178 -0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02 4
179 END
180 REACTIONS
181 C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0! 1
182 C7H16 + O2 = C7H15-2 + HO2 2.800E+14 0.0 47180.0! 2
183 C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0! 3
184 C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0! 4
185 C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0! 5
186 C7H16 + OH = C7H15-2 + H2O 4.800E+09 1.30 690.5! 6
187 C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0! 7
188 C7H16 + HO2 = C7H15-2 + H2O2 1.000E+13 0.0 16950.0! 8
189 C7H16 + CH3 = C7H15-1 + CH4 1.300E+12 0.0 1.160E+4! 9
190 C7H16 + CH3 = C7H15-2 + CH4 8.000E+11 0.0 9.500E+3! 10
191 C7H16 = C7H15-1 + H 3.972E+19 -0.95 1.032E+5! 11
192 C7H16 = C7H15-2 + H 1.248E+21 -1.34 1.007E+5! 12
193 C7H16 = C4H9 + C3H7 2.000E+16 0.0 80710.0! 13
194 !
195 C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 14
196 C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 15
197 C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 16
198 C7H14O2H + O2 = C7H14O2HO2 2.340E+11 0.0 0.0! 17
199 C7H14O2HO2 = C7KET21 + OH 2.965E+13 0.0 2.670E+4! 18
200 C7KET21 = C5H11CO + CH2O + OH 1.000E+16 0.0 4.240E+4! 19
201 C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 20
202 C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 21
203 C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 22
204 C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 23
205 C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 24
206 C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 25
207 C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 26
208 C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 27
209 C5H11 = C2H5 + C3H6 3.200E+13 0.0 28300.0! 28
210 C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 29
211 C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 30
212 C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 31
213 C7H15-2 = C4H9 + C3H6 1.200E+13 0.0 29600.0! 32
214 C7H15-1 = C7H15-2 2.000E+11 0.0 18100.0! 33
215 C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 34
216 C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 35
217 C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 36
218 C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 37
219 C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 38
220 C3H6 = C2H3 + CH3 6.150E+15 0.0 85500.0! 39 ! 3.15
221 C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 40
222 C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 41
223 C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 42
224 C3H6 + OH = CH3CHO + CH3 3.500E+11 0.0 0.0! 43
225 C3H5 = C3H4 + H 4.000E+13 0.0 69760.0! 44
226 C3H5 + H = C3H4 + H2 1.000E+13 0.0 0.0! 45
227 C3H5 + O2 = C3H4 + HO2 6.000E+11 0.0 10000.0! 46
228 C3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 47
229 C3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 48
230 C3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 49
231 !
232 C2H5 + O = CH3CHO + H 5.300E+13 0.0 0.0! 50
233 C2H4 + HO2 = CH3CHO + OH 2.200E+13 0.0 17200.0! 51
234 C2H4 + CH3O = CH3CHO + CH3 3.000E+13 0.0 14500.0! 52
235 C2H4 + CH3O2 = CH3CHO + CH3O 7.000E+13 0.0 14500.0! 53
236 !C2H3 + OH = CH3CHO 3.000E+13 0.0 0.0!
237 CH3CHO = CH3 + HCO 7.080E+15 0.00 81760. ! 54
238 !CH3CHO = CH3CO + H 5.000E+14 0.00 87860. !
239 CH3CO + M = CH3 + CO + M 1.800E+16 0.00 1.44E+4! 55
240 CH3CHO + O2 = CH3CO + HO2 2.000E+13 0.50 42200. ! 56
241 CH3CHO + H = CH3CO + H2 4.100E+13 0.00 4200. ! 57
242 CH3CHO + OH = CH3CO + H2O 1.000E+13 0.00 0. ! 58
243 CH3CHO + O = CH3CO + OH 5.800E+12 0.00 1790. ! 59
244 CH3CHO + CH3 = CH3CO + CH4 1.700E+12 0.0 8440.0! 60
245 CH3CHO + CH2 = CH3CO + CH3 1.660E+12 0.0 3510. ! 61
246 CH3CHO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700. ! 62
247 CH3CHO + CH3O2 = CH3CO + CH4O2 1.150E+11 0.0 10000.0! 63
248 CH3CO + O = CH3 + CO2 1.000E+13 0.00 0. ! 64
249 CH3CO + H = CH3 + HCO 1.000E+14 0.0 0. ! 65
250 CH3CO + OH = CH3 + CO + OH 3.000E+13 0.0 0. ! 66
251 CH3CO + HO2 = CH3 + CO2 + OH 3.000E+13 0.0 0. ! 67
252 CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0. ! 68
253 !
254 CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. ! 69
255 CH3O + H = CH2O + H2 2.000E+13 0.00 0. ! 70
256 CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. ! 71
257 CH3O + O = CH2O + OH 1.000E+13 0.00 0. ! 72
258 CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. ! 73
259 CH3O (+M) = CH2O + H (+M) 2.000E+13 0.00 27420.0! 74
260 LOW /2.344E+25 -2.7 3.060E+04/
261 CH3 + HO2 = CH3O + OH 4.300E+13 0.00 0. ! 75
262 CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. ! 76
263 CH3 + O2 = CH2O + OH 4.800E+10 0.00 9000. ! 77 4.8 9000
264 CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. ! 78 3.02
265 !
266 CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. ! 79
267 CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. ! 80
268 CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. ! 81 2.410E+13
269 CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. ! 82
270 CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. ! 83
271 CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. ! 84
272 CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. ! 85
273 CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. ! 86 11
274 CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. ! 87
275 CH4O2 = CH3O + OH 3.000E+16 0.0 42920. ! 88 6.000E+16
276 CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. ! 89
277 CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. ! 90 ! 8.2
278 CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 91
279 CH3 + O = CH2O + H 8.000E+13 0.00 0. ! 92
280 CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. ! 93
281 CH3 + OH = CH2O + H2 4.000E+12 0.00 0. ! 94
282 CH3O + H = CH3 + OH 1.000E+14 0.00 0. ! 95
283 CO + O + M = CO2 + M 6.170E+14 0.00 3000. ! 96
284 CO + OH = CO2 + H 3.510E+07 1.30 -758. ! 97
285 CO + O2 = CO2 + O 1.600E+13 0.00 41000. ! 98
286 HO2 + CO = CO2 + OH 5.800E+13 0.00 22930. ! 99
287 !
288 H2 + O2 = OH + OH 1.700E+13 0.00 47780. !100
289 H2 + OH = H2O + H 1.170E+09 1.30 3626. !101
290 O + OH = O2 + H 4.000E+14 -0.50 0. !102
291 O + H2 = OH + H 5.060E+04 2.67 6290. !103
292 H + HO2 = O + H2O 3.100E+10 0.00 3590. !104
293 O + OH + M = HO2 + M 1.000E+16 0.00 0. !105
294 H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/ N2/0.70/
295 H + O2 + M = HO2 + M 2.800E+18 -.86 0.0!106
296 O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/0.0/
297 H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0!107
298 H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0!108
299 H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0!109
300 OH + HO2 = H2O + O2 7.500E+12 0.00 0. !110
301 H + HO2 = OH + OH 1.700E+14 0.0 875. !111
302 O + HO2 = O2 + OH 1.400E+13 0.00 1073. !112
303 OH + OH = O + H2O 6.000E+08 1.30 0. !113
304 H + H + M = H2 + M 1.000E+18 -1.00 0. !114
305 H2/0./ H2O/0./ CO2/0./
306 H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !115
307 H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !116
308 H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !117
309 H + OH + M = H2O + M 1.600E+22 -2.00 0. !118
310 H + O + M = OH + M 6.200E+16 -0.60 0. !119
311 O + O + M = O2 + M 1.890E+13 0.00 -1788. !120
312 H + HO2 = H2 + O2 1.250E+13 0.00 0. !121
313 HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !122
314 OH + OH (+M) = H2O2 (+M) 7.600E+13 -.37 0. !123
315 LOW / 4.300E+18 -.900 -1700.00/
316 TROE/ .7346 94.00 1756.00 5182.00 /
317 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
318 H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !124
319 H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !125
320 H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !126
321 H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !127
322 H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !128
323 H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !129
324 !
325 CO2 + N = NO + CO 1.900E+11 0.00 3400. !130
326 N2O + O = N2 + O2 1.400E+12 0.00 10810. !131
327 N2O + O = NO + NO 2.900E+13 0.00 23150. !132
328 N2O + H = N2 + OH 4.400E+14 0.00 18880. !133
329 N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !134
330 N2O + M = N2 + O + M 1.300E+11 0.00 59620. !135
331 N + NO = N2 + O 3.270E+12 0.30 0. !136
332 N + O2 = NO + O 6.400E+09 1.00 6280. !137
333 N + OH = NO + H 7.333E+13 0.00 1120. !138
334 !
335 CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !139
336 CH2O + O = HCO + OH 4.100E+11 0.57 2760. !140 4.1
337 CH2O + H = HCO + H2 2.190E+08 1.80 3000. !141
338 CH2O + OH = HCO + H2O 2.430E+10 1.18 -447. !142
339 CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !143
340 CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !144
341 CH2O + M = HCO + H + M 3.300E+16 0.00 81000. !145
342 !H2 + CO = CH2O 4.300E+07 1.50 79600. !
343 HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !146
344 HCO + OH = H2O + CO 1.000E+14 0.00 0. !147
345 HCO + H = H2 + CO 1.190E+13 0.30 0. !148
346 HCO + O = OH + CO 3.000E+13 0.00 0. !149
347 HCO + O = H + CO2 3.000E+13 0.00 0. !150
348 HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !151
349 HCO + M = H + CO + M 1.870E+17 -1.00 17000. !152
350 !HCO + H + M = CH2O + M 1.000E+12 0.48 -260. !
351 HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !153
352 CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !154
353 !CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. !
354 CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !155
355 CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !156
356 CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !157
357 CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !158
358 CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !159
359 CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !160
360 CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !161
361 CH3 + H = CH4 1.900E+36 -7.00 9050. !162
362 CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !163
363 CH3 + CH3O = CH4 + CH2O 3.300E+14 0.00 0. !164 3.3
364 !CH3 + CH3 = C2H6 2.700D+53 -12.0 19400. !
365 CH3 + CH3 (+M) = C2H6 (+M) 2.120E+16 -0.97 620. !165
366 LOW / 1.770E+50 -9.670 6220.00/
367 TROE/ 0.5325 151.00 1038.00 4970.00 /
368 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
369 CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !166
370 !CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. !
371 CH2 + OH = CH2O + H 2.500E+13 0.00 0. !167
372 CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !168
373 CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !169
374 CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !170
375 CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !171
376 CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !172
377 CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !173
378 CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !174
379 CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !175
380 CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !176
381 CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !177
382 CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !178
383 CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !179
384 CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !180
385 C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !181
386 C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !182
387 C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !183
388 C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !184
389 C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !185 ! 13
390 C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !186
391 C2H4 + OH = C2H3 + H2O 6.020E+13 0.00 5955. !187 ! 6.02 5955
392 C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !188
393 C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !189
394 C2H4 + H = C2H5 2.600E+43 -9.25 52580. !190
395 C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !191
396 C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !192
397 C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !193 ! 14
398 C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !194 ! 14
399 C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !195
400 C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !196 2.0
401 C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !197
402 C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !198
403 C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !199
404 C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !200
405 C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !201
406 C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !202
407 C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !203
408 C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !204
409 C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !205
410 C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !206
411 C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !207
412 C3H3 + OH = C3H2 + H2O 1.000E+13 0.0 0. !208
413 C3H3 + O = CH2O + C2H 1.000E+13 0.0 0. !209
414 C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !210
415 !
416 C2H2 = C2H + H 2.373E+32 -5.28 130688. !211
417 C2H + O2 = HCO + CO 5.000E+13 0.00 1500. !212
418 C2H + H2 = H + C2H2 4.900E+05 2.50 560.0 !213
419 C2H2 + O = C2H + OH 4.600E+19 -1.41 28950.0 !214
420 C2H2 + OH = C2H + H2O 3.370E+07 2.00 14000.0 !215
421 C2H2 + C2H = C4H2 + H 9.600E+13 0.00 0.0 !216
422 C3H4 + O = C2H3 + HCO 3.200E+12 0.00 2.01E+3!217
423 C3H4 + O = C2H4 + CO 3.200E+12 0.00 2.01E+3!218
424 C3H4 + O = HCCO + CH3 6.300E+12 0.00 2.01E+3!219
425 !
426 ! Reactions of C4H and C4H2
427 !
428 C4H + H2 = H + C4H2 4.900E+05 2.5 560.0 !220
429 C4H2 + OH = C4H + H2O 3.370E+07 2.0 14000.0 !221
430 C4H2 + O = C3H2 + CO 2.700E+13 0.0 1720.0 !222 Wellman
431 C3H2 + O = C2H2 + CO 6.800E+13 0.0 0.0 !223
432 C3H2 + OH = HCO + C2H2 6.800E+13 0.0 0.0 !224
433 C2H2 + C2H = C4H3 4.500E+37 -7.68 7100.0 !225
434 C3H2 + CH2 = C4H3 + H 5.000E+13 0.0 0.0 !226
435 C4H2 + H = C4H3 1.100E+42 -8.72 15300.0 !227
436 C4H3 + H = C2H2 + C2H2 6.300E+25 -3.34 10014.0 !228
437 C4H3 + H = C4H2 + H2 1.500E+13 0.00 0.0 !229
438 C4H3 + OH = C4H2 + H2O 2.500E+12 0.00 0.0 !230
439 !
440 C2H2 + HCCO = C3H3 + CO 1.000E+11 0.000 3000.0 !231 Miller-Bowman
441 C3H2 + O2 = HCCO + CO + H 5.000E+13 0.000 0.0 !232 Miller-Melius
442 HCCO+O = H+CO+CO 1.000E+14 0.000 0.0 !233
443 HCCO+O2 = OH+2CO 3.200E+12 0.000 854.0 !234
444 HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0 !235
445 HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0 !236
446 C2H+OH = H+HCCO 2.000E+13 0.000 0.0 !237
447 CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.500 4510.0 !238
448 LOW / 2.690E+33 -5.110 7095.00/
449 TROE/ 0.5907 275.00 1226.00 5185.00 /
450 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
451 C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0 !239
452 CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0 !240
453 CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0 !241
454 CH2CO+O = HCCO+OH 5.000E+13 0.000 8000.0 !242
455 CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0 !243
456 CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0 !244
457 C2H3+O = CH2CO+H 3.000E+13 0.000 0.0 !245
458 C3H3 + O2 = CH2CO + HCO 3.000E+10 0.0 2878.0 !246 Gutman
459 C4H3 + O2 = HCCO + CH2CO 7.860E+16 -1.80 0.0 !247 Gutman
460 !C4H3 + C2H2 = A1- 1.900E+63 -15.25 30600.0 !
461 !A1 + H = A1- + H2 2.500E+14 0.0 16000. ! Kiefer
462 !A1 + OH = A1- + H2O 1.600E+08 1.42 1450. ! CEC
463 !A1- + H (+M) = A1 (+M) 1.000E+14 0.00 0. ! RRKM
464 ! LOW/ 6.6E+75 -16.30 7000. /
465 ! TROE / 1.0 0.1 584.9 6113. /
466 ! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
467 ! soot formation
468 !C3H3 + C3H3 = A1 2.000E+10 0.0 0.0 !
469 !A1 = 6C(S)+3H2 2.000E+10 0.0 0.0 !
470 !C4H2 = 4C(S)+H2 2.000E+10 0.0 0.0 !
471 !C(S)+C2H2=>3C(S)+H2 2.000E+10 0.0 0.0 !
472 !C2H2 = 2C(S)+H2 2.000E+10 0.0 0.0 !
473 !
474 O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00!248
475 H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00!249
476 LOW / 1.270E+32 -4.820 6530.00/
477 TROE/ .7187 103.00 1291.00 4160.00 /
478 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.7/
479 H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00!250
480 H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00!251
481 H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00!252
482 C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00!253
483 C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00!254
484 O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00!255
485 O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00!256
486 O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00!257
487 H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00!258
488 H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00!259
489 OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00!260
490 HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00!261
491 CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00!262
492 H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00!263
493 LOW/ 1.012E+42 -7.63 3854.0/
494 TROE/ 0.465 201.0 1773.0 5333.0 /
495 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/
496 O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00!264
497 O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00!265
498 O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00!266
499 H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00!267
500 H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00!268
501 OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00!269
502 OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00!270
503 !
504 C3H8(+M)=C2H5+CH3(+M) 9.90E+22 -1.6 84429.0 !271 Tsang 1988
505 LOW / 2.237E+27 -2.88 67448.0 / ! Al-Alami 1983
506 TROE /1.0 1.0E-15 1500.0 1.0E+15/
507 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ C3H8/4.0/
508 O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00!272
509 H+C3H8<=>C3H7+H2 1.020E+06 2.340 6756.00!273
510 OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00!274
511 C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00!275
512 CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00!276
513 C3H8+C2H5=C3H7+C2H6 9.000E-01 3.650 9140.00!277
514 C3H8+C2H3=C3H7+C2H4 6.000E+02 3.300 10502.00!278
515 CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00!279
516 LOW/ 3.00E+63 -14.6 18170./
517 TROE/ .1894 277.0 8748.0 7891.0 /
518 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ C3H8/4.0/
519 O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00!280
520 H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00!281
521 LOW/ 4.420E+61 -13.545 11357.0/
522 TROE/ .315 369.0 3285.0 6667.0 /
523 H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
524 H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00!282
525 CH2+C3H8=CH3+C3H7 1.500E+0 3.460 7470.00!283
526 OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00!284
527 HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00!285
528 HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00!286
529 CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00!287
530 C3H7+CH3 <=> CH4+C3H6 1.100E+13 0.000 0.0 !288 TS3
531 C3H6+C2H5=C3H5+C2H6 2.230E+00 3.500 6640.0 !289
532 C3H6+O = CH3+CH3CO 6.800E+04 2.560 -1.13E+3!290
533 END