TABLE S3

Kinetic Reactions

Reactiona Rate constantb Reference

M
R181 2 H H2 k0 = 2.7 1031 T 0.6 Baulch et al. [1994]
k0 = 1.0 1032 , T 243 K Estimate
k = 1.0 1011 Estimate
R182 H + CH C + H2 1.3 1010 e(80/T ) Harding et al. [1993]
R183 H + 1 CH2 CH + H2 3.0 1010 Estimate
R184 H + 3 CH2 CH + H2 2.66 1010 Boullart and Peeters [1992]
M
R185 H + 3 CH2 CH3 k0 = 9.0 1032 e(550/T ) Est. based on 0.1 k0 for CH + H2
k = 8.55 1012 T 0.15 Est. based on 0.1 k for CH + H2
M
R186 H + CH3 CH4 k0 = 1.5 1024 T 1.8 Models A & B; based on
k0 = 6.0 1029 , T 277.5 K Brouard et al. [1989], Seakins
k = 1.92 108 T 0.5 e(400/T ) et al. [1997], and Baulch et al.
k = 4.823 1011 , T 110 K [1994]
Fc = 0.3 + 0.58e(T /800)
k0 = 7.81 1018 T 3.87 e(1222/T ) Model C; based on Brouard et al.
k0 = 3.46 1029 , T 316 K [1989] and Seakins et al. [1997]
k = 4.6 107 T 1 e(474/T )
k = 4.8 1011 , T 105 K
Fc = 0.31 + e(T /425)
Fc = 1.0, for T 157.7 K
R187 H + CH4 CH3 + H2 2.2 1020 T 3 e(4045/T ) Baulch et al. [1992]
M
R188 H + C2 H C2 H2 k0 = 1.26 1018 T 3.1 e(721/T ) Tsang and Hampson [1986]
k = 3.0 1010 Tsang and Hampson [1986]
M
R190 H + C2 H2 C2 H3 k0 = 3.3 1030 e(740/T ) Models A & B; Baulch et al.
k = 1.4 1011 e(1300/T ) [1994]
Fc = 0.44
k0 = 3.34 1026 T 1.46 e(1144/T ) Model C; based on Payne
k = 2.3 1011 e(1350/T ) and Stief [1976]
Fc = 0.6
R191 H + C2 H3 C2 H2 + H2 1.5 1012 T 0.5 Models A & B; data
compilation
k192, k192 [M] Model C; estimate
M 24 1
R192 H + C2 H3 C2 H4 k0 = 2.3 10 T Models A & B; based on Fahr
k = 1.8 1010 [1995] and Monks et al. [1995]
k0 = 1.75 1027 T 0.3 Model C; based on Klippenstein
k = 7.0 1011 T 0.18 and Harding [1999] and Monks et al. [1995]
et al. [1995]
R193 H + C2 H4 C2 H3 + H2 8.41 1017 T 1.93 e(6518/T ) Knyazev et al. [1996]
M
R194 H + C2 H4 C2 H5 k0 = 1.3 1029 e(380/T ) Models A & B; Baulch et al. [1994]
k0 = 3.7 1030 , T 302.4 K Estimate
k = 6.6 1015 T 1.28 e(650/T ) Baulch et al. [1994]
Fc = 0.24e(T /40) + 0.76e(T /1025) Baulch et al. [1994]
k0 = 1.68 1038 T 2.87 e(923/T ) Model C; based on Lightfoot
and Pilling [1987]
k = 6.6 1015 T 1.28 e(650/T ) Baulch et al. [1994]
 2

Fc = 0.24e(T /40) + 0.76e(T /1025) Baulch et al. [1994]

 3

TABLE S3 (cont.)

Reaction Rate constant Reference

R195 H + C2 H5 2 CH3 1.25 1010 Sillesen et al. [1993]

R196 H + C2 H5 C2 H4 + H2 3.0 1012 Tsang and Hampson [1986]
M
R197 H + C2 H5 C2 H6 k0 = 4.0 1019 T 3 e(600/T ) Estimate
k0 = 2.489 1027 , T 200 K
k = 2.0 1010 Est. based on Sillesen et al. [1993]
R198 H + C2 H6 C2 H5 + H2 2.35 1015 T 1.5 e(3725/T ) Baulch et al. [1992]
M
R199 H + C3 H2 C3 H3 k0 = 4.0 1019 T 3 e(600/T ) Est. based on H + C2 H5
k0 = 2.489 1027 , T 200 K
k = 2.0 1010 Estimate
M
R200 H + C3 H3 CH3 C2 H k0 = 9.4 1020 T 3.3 Est. based on Davis
k0 = 7.779 1027 , T 140 K et al. [1999]
k = 1.0 1010 Estimate
M
R201 H + C3 H3 CH2 CCH2 k0 = 1.6 1020 T 3.3 Est. based on Davis
k0 = 1.324 1027 , T 140 K et al. [1999]
k = 1.0 1010 Estimate
R202 H + CH3 C2 H C3 H3 + H2 4.7 1016 T 1.74 e(3873/T ) B. Wang et al. [2000]
R203 H + CH3 C2 H CH3 + C2 H2 2.5 1010 e(3052/T ) Based on B. Wang et al. [2000]
M
R204 H + CH3 C2 H C3 H5 k0 = 3.2 1024 T 1.7 e(300/T ) Expression ts the fallo
k = 5.0 1011 e(1180/T ) data of Whytock et al. [1976b]
R205 H + CH2 CCH2 CH3 C2 H + H 3.0 1018 T 2 e(52/T ) Est. based on Wagner and Zellner
M
R206 H + CH2 CCH2 C3 H5 k0 = 3.0 1028 e(360/T ) [1972b] and Aleksandrov et al.
k = 1.0 1018 T 2 e(52/T ) [1980]
R207 H + C3 H5 CH3 C2 H + H2 3.0 1011 Estimate based on Tsang [1991],
R208 H + C3 H5 CH2 CCH2 + H2 3.0 1011 Baulch et al. [1994],
R209 H + C3 H5 CH3 + C2 H3 4.0 1012 Wagner and Zellner [1972a],
M
R210 H + C3 H5 C3 H6 k0 = 1.5 1029 and Hanning-Lee and
k = 2.4 1010 Pilling [1992]
R211 H + C3 H6 C3 H5 + H2 2.87 1019 T 2.5 e(1254/T ) Tsang [1991]
R212 H + C3 H6 CH3 + C2 H4 2.2 1011 e(1641/T ) Tsang [1991]
M
R213 H + C3 H6 C3 H7 k0 = 1.3 1028 e(380/T ) Est. 10 k0 for H + C2 H4
k = 9.47 1015 T 1.16 e(440/T ) Seakins et al. [1993]
R214 H + C3 H7 C3 H6 + H2 3.0 1012 Tsang [1988]
R215 H + C3 H7 C2 H5 + CH3 6.0 1011 Tsang [1988]
M
R216 H + C3 H7 C3 H8 k0 = 4.0 1019 T 3.0 e(600/T ) Est. based on H + C2 H5
k0 = 2.489 1027 , T 200 K
k = 2.49 1010 Munk et al. [1986]
R217 H + C3 H8 C3 H7 + H2 2.16 1018 T 2.4 e(2250/T ) Tsang [1988]
M
R218 H + C4 H C4 H2 k0 = 1.26 1018 T 3.1 e(721/T ) Est. based on H + C2 H
k = 3.0 1010 Est. based on H + C2 H
M
R219 H + C4 H2 C4 H3 k0 = 2.0 1026 e(740/T ) Est. based on Nava et al. [1986]
k = 1.5 1010 e(1184/T ) Est. based on Nava et al. [1986]
 4

TABLE S3 (cont.)

Reaction Rate constant Reference

R220 H + C4 H3 2 C2 H2 1.0 1011 Estimate

R221 H + C4 H3 C4 H2 + H2 6.0 1011 Estimate
M
R222 H + C4 H3 C4 H4 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 8.56 1010 e(405/T ) Duran et al. [1988]
M
R223 H + C4 H4 C4 H5 k0 = 1.5 1020 T 3 e(300/T ) Estimate
k = 9.35 1012 e(309/T ) Est. from Ancia et al. [1996] and
Schwanebeck and Warnatz [1975]
R224 H + C4 H5 C4 H4 + H2 1.5 1012 T 0.5 Est. based on H + C2 H3
M
R225 H + C4 H5 1C4 H6 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 1.0 1010 Gladstone et al. [1996]
R227 H + C4 H9 C4 H8 + H2 1.05 1011 Tsang [1990]
M
R228 H + C4 H9 C4 H10 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 8.95 1011 Tsang [1990]
R229 H + C5 H3 C3 H2 + C2 H2 1.5 1012 T 0.5 Est. based on H + C2 H3
M
R230 H + C6 H2 C6 H3 k0 = 1.0 1029 e(360/T ) Estimate
k = 1.39 1010 e(1184/T ) Est. based on H + C4 H2
R231 H + C6 H3 C6 H2 + H2 3.0 1012 T 0.5 Est. based on H + C2 H3
R232 H + C6 H3 C4 H2 + C2 H2 3.99 105 T 1.6 e(1409/T ) Wang and Frenklach [1997]
M
R233 H + C6 H3 C6 H4 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 8.56 1010 e(405/T ) Est. based on H + C4 H3
M
R234 H + C6 H4 C6 H5 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 9.35 1012 e(309/T ) Est. based on H + C4 H4
R235 H + C6 H5 C4 H4 + C2 H2 3.16 105 T 1.6 e(1117/T ) Wang and Frenklach [1997]
M
R236 H + C6 H5 C6 H6 k0 = 1.5 1019 T 3 e(300/T ) Estimate
k = 3.65 1010 Davis et al. [1996]
M 3
R238 C + H2 CH2 k0 = 7.0 1032 Husain and Young [1975]
k = 2.06 1011 e(57/T ) Harding et al. [1993]
M
R239 C + C2 H2 C3 H2 k0 = 1.0 1030 Estimate
k = 5.95 1010 Liao and Herbst [1995]
M
R240 C + C2 H4 CH3 C2 H k0 = 1.0 1030 Estimate
k = 2.0 1010 Haider and Husain [1993]
3
R241 CH + H2 CH2 + H 3.75 1010 e(1663/T ) Becker et al. [1991]
M
R242 CH + H2 CH3 k0 = 9.0 1031 e(550/T ) Fit to data from Becker et al. [1991]
and Berman and Lin [1984]
k = 8.55 1011 T 0.15 Fulle and Hippler [1997]
3
R243 CH + CH2 C2 H2 + H 3.96 108 T 1.04 e(36/T ) Est. based on CH + CH4
R244 CH + CH3 C2 H3 + H 3.96 108 T 1.04 e(36/T ) Est. based on CH + CH4
R245 CH + CH4 C2 H4 + H 3.96 108 T 1.04 e(36/T ) Canosa et al. [1997]
1.58 108 T 0.9 for T > 295 K
R247 CH + C2 H2 C3 H2 + H 1.59 109 T 0.233 e(16/T ) Canosa et al. [1997]
3.255 1010 e(61/T ) for T > 295 K
 5

TABLE S3 (cont.)

Reaction Rate constant Reference

R248 CH + C2 H3 C3 H3 + H 7.74 109 T 0.546 e(29.6/T ) Est. based on CH + C2 H4

R249 CH + C2 H4 CH2 CCH2 + H 7.74 109 T 0.546 e(29.6/T ) Canosa et al. [1997]
R250 CH + C2 H5 C3 H5 + H 3.8 108 T 0.859 e(33.5/T ) Est. based on CH + C2 H6
R251 CH + C2 H6 C3 H6 + H 3.8 108 T 0.859 e(33.5/T ) Canosa et al. [1997]
R252 CH + C3 H2 C4 H2 + H 1.59 109 T 0.233 e(16/T ) Est. based on CH + C2 H2
R253 CH + C3 H3 C4 H3 + H 1.59 109 T 0.233 e(16/T ) Est. based on CH + C2 H2
R254 CH + CH3 C2 H C4 H4 + H 1.59 109 T 0.233 e(16/T ) Est. based on CH + C2 H2
R255 CH + CH2 CCH2 C4 H4 + H 1.59 109 T 0.233 e(16/T ) Est. based on CH + C2 H2
1 3
R258 CH2 + H2 CH2 + H2 1.26 1011 Braun et al. [1970]; and
1
R259 CH2 + H2 CH3 + H 9.24 1011 Langford et al. [1983]
1
R260 CH2 + CH3 C2 H4 + H 7.0 1011 Est. based on 3 CH2 + CH3
1 3
R261 CH2 + CH4 CH2 + CH4 1.2 1011 B
ohland et al. [1985b]
1
R262 CH2 + CH4 2 CH3 5.9 1011 B
ohland et al. [1985b]
1 3
R263 CH2 + C2 H2 CH2 + C2 H2 6.6 1011 B
ohland et al. [1986]
1 M
R264 CH2 + C2 H2 CH3 C2 H k0 = 7.5 1019 T 3 e(300/T ) Estimate
k = 2.5 1011 Based on B
ohland et al. [1986]
1 M
R265 CH2 + C2 H2 CH2 CCH2 k0 = 7.5 1019 T 3 e(300/T ) Estimate
k = 2.5 1011 Based on Bohland et al. [1986]
1
R266 CH2 + C2 H2 C3 H3 + H 2.5 1010 Based on Bohland et al. [1986]
1
R267 CH2 + C2 H4 3 CH2 + C2 H4 1.8 1011 B
ohland et al. [1985b]
1 M
R268 CH2 + C2 H4 C3 H6 k0 = 1.5 1018 T 3 e(300/T ) Estimate
k = 1.32 1010 B
ohland et al. [1985b]
1 3
R269 CH2 + C2 H6 CH2 + C2 H6 3.6 1011 Baulch et al. [1992]
R270 2 3 CH2 C2 H2 + 2 H 1.8 1010 e(400/T ) Baulch et al. [1992]
3
R271 CH2 + CH3 C2 H4 + H 7.0 1011 Baulch et al. [1992]
3
R272 CH2 + CH4 2 CH3 7.1 1012 e(5051/T ) B
ohland et al. [1985a]
3
R275 CH2 + C2 H2 C3 H2 + H2 1.0 1012 e(3332/T ) B
ohland et al. [1986]
3
R276 CH2 + C2 H2 C3 H3 + H 1.9 1011 e(3332/T ) B
ohland et al. [1986]
3 M
R277 CH2 + C2 H2 CH3 C2 H k0 = 1.5 1018 T 3 e(300/T ) Estimate
k = 2.0 1012 e(3332/T ) Est. based on B
ohland et al. [1986]
3
R278 CH2 + C2 H3 C2 H2 + CH3 8.0 1011 Estimate
3
R279 CH2 + C2 H4 C3 H5 + H 4.25 1012 e(2658/T ) Est. based on Kraus et al. [1993]
3 M
R280 CH2 + C2 H4 C3 H6 k0 = 1.5 1018 T 3 e(300/T ) Estimate
k = 1.0 1012 e(2658/T ) Est. based on Kraus et al. [1993]
3
R281 CH2 + C2 H5 C2 H4 + CH3 8.0 1011 Estimate
3
R282 CH2 + C3 H2 C4 H3 + H 8.0 1011 Estimate
3
R283 CH2 + C3 H3 C4 H4 + H 3.0 1011 Estimate
R286 CH3 + H2 CH4 + H 6.6 1020 T 2.24 e(3220/T ) Rabinowitz et al. [1991]

Reaction
M
R287 2 CH3 C2 H6
M
R288 CH3 + C2 H CH3 C2 H
R289 CH3 + C2 H3 CH4 + C2 H2
R290 CH3 + C2 H3 C3 H5 + H
M
R291 CH3 + C2 H3 C3 H6
R292 CH3 + C2 H5 CH4 + C2 H4
M
R293 CH3 + C2 H5 C3 H8
R294 CH3 + C3 H2 C2 H2 + C2 H3
M
R295 CH3 + C3 H3 1C4 H6
M
R296 CH3 + C3 H3 1, 2C4 H6
R297 CH3 + C3 H5 CH4 + CH3 C2 H 2.0 1011
R298 CH3 + C3 H5 CH4 + CH2 CCH2 2.0 1011
M
R299 CH3 + C3 H5 C4 H8
R302 CH3 + C3 H7 CH4 + C3 H6
M
R303 CH3 + C3 H7 C4 H10
R305 CH3 + C4 H5 CH4 + C4 H4
M
R306 CH3 + C4 H5 prod
R307 CH3 + C5 H3 C6 H5 + H
R308 CH3 + C5 H3 C4 H4 + C2 H2
R309 CH3 + C5 H3 2 C3 H3
M
R310 CH3 + C5 H3 C6 H6
R311 C2 + H2 C2 H + H
R312 C2 + CH4 C2 H + CH3
R313 C2 H + H2 C2 H2 + H
R314 C2 H + CH4 C2 H2 + CH3
TABLE S3 (cont.)
Rate constant
k0 = 3.51 107 T 7.03 e(1390/T )
k0 = 6.15 1018 T 3.5
k = 1.12 109 T 0.5 e(25/T )
Fc = 0.62e(T /1180) + 0.38e(T /73)
k0 = 1.5 1018 T 3 e(300/T )
k = 1.7 1010
3.0 1011
1.1 1010 k291 [M]
k0 = 5.0 1027
k = 1.1 1010
2.0 1012
k0 = 7.5 1017 T 3 e(300/T )
k = 6.64 1011
1.0 1011
8.0 1011
k0 = 9.0 1019 T 3 e(300/T )
k = 9.96 1012
k0 = 6.0 1019 T 3 e(300/T )
k = 6.64 1012
k0 = 3.7 1019 T 3 e(300/T )
k = 9.5 1010 T 0.54 e(117/T )
k = 1.34 1013 e(3330/T )
1.9 1011 T 0.3
k0 = 7.07 1022 e(255/T ) , T 200 K Est. 0.01 Laufer et al. [1983]
k0 = 4.46 1026 e(2189/T ) , T > 200 KEst. 0.01 Laufer et al. [1983]
k = 3.2 1010 T 0.32
3.3 1011
k0 = 1.5 1017 T 3 e(300/T )
k = 3.2 1010 T 0.32
2.0 1011
1.0 1011
4.0 1011
k0 = 1.5 1017 T 3 e(300/T )
k = 3.2 1010 T 0.32
1.77 1010 e(1469/T )
11 (297/T )
5.05 10 e Pitts et al. [1982]
9.2 1018 T 2.17 e(478/T )
1.2 1011 e(491/T )
6
Reference
for T > 300 K, based
on Slagle et al. [1988]
and Baulch et al. [1994]
for T 300K, Estimate
Data compilation; ts
fallo region data
of Walter et al. [1990]
Estimate
Est., Fahr et al. [2001]
Based on Fahr et al. [1991],
Stoliarov et al. [2000],
Fahr et al. [1999], and
Thorn et al. [2000]
Baulch et al. [1992]
Estimate
Sillesen et al. [1993]
Estimate, Models A & B
Estimate, Model C
Estimate
Est. based on Wu and Kern [1987]
Estimate
Est. based on Wu and Kern [1987]
Estimate based on
Garland and Bayes [1990] and
Knyazev and Slagle [2001]
Kinsman and Roscoe [1994]
Tsang [1988]
Tsang [1988]
Est. based on CH3 + C2 H3
Estimate
Est. based on CH3 + C3 H7
Est. based on CH3 + C2 H3
Est. based on CH3 + C2 H3
Est. based on CH3 + C2 H3
Estimate
Est. based on CH3 + C3 H7
Pitts et al. [1982]
Opansky and Leone [1996b]
Opansky and Leone [1996a]
 7

TABLE S3 (cont.)

Reaction Rate constant Reference

R316 C2 H + C2 H2 C4 H2 + H 1.3 1010 Vakhtin et al. [2001]

R317 C2 H + C2 H3 C4 H3 + H 1.45 1010 e(134/T ) Est. based on Dur an et al. [1988]
R319 C2 H + C2 H4 C4 H4 + H 7.8 1011 e(134/T ) Opansky and Leone [1996b]
R320 C2 H + C2 H5 C4 H5 + H 1.2 1010 Est. based on Fahr et al. [2001]
R321 C2 H + C2 H5 C3 H3 + CH3 3.0 1011 Est. based on Fahr et al. [2001]
R322 C2 H + C2 H5 C2 H2 + C2 H4 3.0 1012 Tsang and Hampson [1986]
R323 C2 H + C2 H6 C2 H2 + C2 H5 1.19 1012 T 0.54 e(180/T ) Ceursters et al. [2001]
R324 C2 H + C4 H2 C6 H2 + H 1.3 1010 Est. based on C2 H + C2 H2
R325 C2 H + C4 H10 C4 H9 + C2 H2 1.0 1011 Tsang [1990]
R328 C2 H3 + H2 C2 H4 + H 1.57 1020 T 2.56 e(2529/T ) Models A & B, Knyazev
et al. [1996]
5.23 1015 T 0.7 e(2574/T ) Model C, Weissman
and Benson [1988]
R329 C2 H3 + CH4 C2 H4 + CH3 2.4 1024 T 4.02 e(2754/T ) Tsang and Hampson [1986]
R330 C2 H3 + C2 H2 C4 H4 + H 3.31 1012 e(2516/T ) Fahr and Stein [1988]
M
R331 C2 H3 + C2 H2 C4 H5 k0 = 8.2 1030 e(352/T ) Est. 10 H + C2 H2
k = 4.17 1019 T 1.9 e(1058/T ) Weissman and Benson [1988]
R332 2 C2 H3 C2 H4 + C2 H2 1.4 1010 k333 [M] Based on Fahr et al. [1993],
Fahr et al. [1991], and
Thorn et al. [1996]
M
R333 2 C2 H3 1, 3C4 H6 k0 = 5.0 1018 T 3.75 e(300/T )
k = 1.4 1010
R334 C2 H3 + C2 H4 1C4 H6 + H 1.05 1012 e(1559/T ) Fahr and Stein [1988]
R335 C2 H3 + C2 H5 2 C2 H4 8.0 1013 Tsang and Hampson [1986]
R336 C2 H3 + C2 H5 C2 H6 + C2 H2 8.0 1013 Tsang and Hampson [1986]
R337 C2 H3 + C2 H5 CH3 + C3 H5 2.5 1011 /(1 + A), where Tsang and Hampson [1986]
A = 2.5 1036 T 11.25 e(3289/T ) Tsang and Hampson [1986]
M
R338 C2 H3 + C2 H5 C4 H8 k0 = 3.476 1015 T 3.75 e(300/T ) Est. 50 k0 for CH3 + CH3
k = 2.5 1011 k337 Tsang and Hampson [1986]
R339 C2 H3 + C3 H2 C3 H3 + C2 H2 8.0 1011 Estimate
R340 C2 H3 + C3 H3 CH3 C2 H + C2 H2 2.0 1011 Estimate
R342 C2 H5 + H2 C2 H6 + H 5.1 1024 T 3.6 e(4253/T ) Tsang and Hampson [1986]
R344 2 C2 H5 C2 H6 + C2 H4 2.4 1012 Baulch et al. [1992]
M
R345 2 C2 H5 C4 H10 k0 = 1.5 1017 T 3 e(300/T ) Estimate
k = 1.4 1011 e(35/T ) Gladstone et al. [1996]
R346 C2 H5 + C3 H2 C3 H3 + C2 H4 8.0 1011 Estimate
R347 C2 H5 + C3 H3 CH3 C2 H + C2 H4 2.0 1011 Estimate
R348 C3 + H2 C3 H + H 5.5 1013 e(1200/T ) Estimate
R349 C3 H + H2 C3 H2 + H 5.5 1013 e(1200/T ) Estimate
M
R350 C3 H2 + C2 H2 C5 H4 k0 = 1.5 1018 T 3 e(300/T ) Estimate
k = 2.0 1011 e(3330/T ) Est. based on 3 CH2 + C2 H2
 8

TABLE S3 (cont.)

Reaction Rate constant Reference

M
R351 2 C3 H3 lC6 H6 k0 = 2.812 1021 T 2 Based on Fahr and Nayak [2000]
k = 4.1 1011 and Atkinson and Hudgens [1999]
M
R352 2 C3 H3 C6 H6 k0 = 1.48 1022 T 2 Based on Fahr and Nayak [2000]
k = 6.0 1012 and Atkinson and Hudgens [1999]
R353 C3 H3 + C3 H5 2 CH3 C2 H 2.0 1011 Estimate
R355 C3 H7 + H2 C3 H8 + H 3.0 1021 T 2.84 e(4600/T ) Tsang [1988]
R356 C4 H + H2 C4 H2 + H 3.92 1019 T 2.57 e(130/T ) Est. based on C2 H + H2
R357 C4 H + CH4 C4 H2 + CH3 1.2 1011 e(491/T ) Est. based on C2 H + CH4
R358 C4 H + C2 H2 C6 H2 + H 2.5 1011 Brachhold et al. [1988]
R359 C4 H + C2 H6 C4 H2 + C2 H5 1.19 1012 T 0.54 e(180/T ) Est. based on C2 H + C2 H6
R363 C4 H2 C4 H2 1.0 103 Zwier and Allen [1996]

R364 C4 H2 + H2 C4 H2 + H2 1.4 1015 Zwier and Allen [1996]
R365 C4 H2 + CH4 C4 H2 + CH4 1.4 1015 Zwier and Allen [1996]
R366 C4 H2 + C2 H2 C6 H2 + H2 1.75 1013 Zwier and Allen [1996]
R367 C4 H2 + C2 H2 C6 H2 + 2 H 1.75 1013 Zwier and Allen [1996]
M
R381 C4 H3 + C2 H2 C6 H5 k0 = 3.0 1023 T 1 Estimate
k = 6.84 1018 T 1.646 e(1258/T ) Westmoreland et al. [1989]
R382 C4 H5 + H2 1C4 H6 + H 6.61 1015 T 0.5 e(1864/T ) Weissman and Benson [1988]
R383 C4 H5 + C2 H2 C6 H6 + H 2.86 1018 T 1.792 e(1127/T ) Westmoreland et al. [1989]
R384 C6 H + H2 C6 H2 + H 3.92 1019 T 2.57 e(130/T ) Est. based on C2 H + H2
R385 C6 H + CH4 C6 H2 + CH3 1.2 1011 e(491/T ) Est. based on C2 H + CH4
R387 C6 H + C2 H6 C6 H2 + C2 H5 3.5 1011 e(3/T ) Est. based on C2 H + C2 H6
R391 C6 H5 + H2 C6 H6 + H 9.48 1020 T 2.43 e(3159/T ) Mebel et al. [1997a]
R392 C6 H5 + CH4 C6 H6 + CH3 3.32 1012 e(4329/T ) Heckmann et al. [1996]
R393 C6 H5 + C2 H2 prod + H 3.72 1013 e(1560/T ) Yu et al. [1994]
R394 C6 H5 + C2 H4 prod + H 1.20 1012 e(2250/T ) Yu and Lin [1995]
R395 lC6 H6 C6 H6 1.0 103 Estimate
R396 lC6 H6 + H C6 H6 + H 1.44 107 T 1.34 e(1761/T ) Wang and Frenklach [1997]
M
R397 O+H OH k0 = 1.3 1029 T 1 Tsang and Hampson [1986]
R398 O + H2 OH + H 8.49 1020 T 2.67 e(3160/T ) Baulch et al. [1992]
R402 O + CH3 H2 CO + H 1.4 1010 Atkinson et al. [1992]
R405 O + C2 H2 CO + 3 CH2 1.5 1011 e(1600/T ) DeMore et al. [1987]
R406 O + C2 H2 HCCO + H 1.5 1011 e(1600/T ) DeMore et al. [1987]
R407 O + C2 H3 H2 CCO + H 1.25 1011 Est., Baulch et al. [1992]
R408 O + C2 H3 OH + C2 H2 1.25 1011 Est., Baulch et al. [1992]
R409 O + C2 H3 CO + CH3 1.25 1011 Est., Baulch et al. [1992]
R410 O + C2 H3 HCO + 3 CH2 1.25 1011 Est., Baulch et al. [1992]
R411 O + C2 H4 CH3 CO + H 2.0 1018 T 2.08 Baulch et al. [1992]
R412 O + C2 H4 HCO + CH3 3.45 1018 T 2.08 Baulch et al. [1992]
R413 O + C2 H4 H2 CO + 3 CH2 1.5 1019 T 2.08 Baulch et al. [1992]
R414 O + C2 H4 H2 CCO + H2 1.5 1019 T 2.08 Baulch et al. [1992]
R415 O + C2 H5 CH3 CHO + H 8.3 1011 Baulch et al. [1992]
R416 O + C2 H5 H2 CO + CH3 1.7 1011 Baulch et al. [1992]
 9

TABLE S3 (cont.)

Reaction Rate constant Reference

R436 O(1 D) + H2 OH + H 1.1 1010 Atkinson et al. [1992]

R437 O(1 D) + CH4 OH + CH3 1.35 1010 Atkinson et al. [1992]
R438 O(1 D) + CH4 H2 CO + H2 1.5 1011 Atkinson et al. [1992]
M
R446 OH + H H2 O k0 = 6.1 1026 T 2 Baulch et al. [1992]
k = 2.69 1010 e(75/T ) Cobos and Troe [1985]
R447 OH + H2 H2 O + H 7.7 1012 e(2100/T ) Atkinson et al. [1992]
R449 OH + CH3 H2 O + 1 CH2 1.0 1012 Est., Oser et al. [1992]
M
R450 OH + CH3 CH3 OH k0 = 6.4 1029 e(1033/T ) Oser et al. [1992]
k = 1.44 1010 T 0.1 Fagerstr
om et al. [1993]
R451 OH + CH4 H2 O + CH3 3.9 1012 e(1885/T ) Atkinson et al. [1992]
M
R454 OH + C2 H2 CH3 CO k0 = 2.6 1026 T 1.5 Atkinson et al. [1992]
k = 1.0 1017 T 2 Atkinson et al. [1992]
R455 OH + C2 H3 H2 O + C2 H2 5.0 1011 Tsang and Hampson [1986]
M
R457 OH + C2 H4 C2 H4 OH k0 = 3.34 1021 T 3.1 Atkinson et al. [1999]
k = 9.0 1012 Atkinson et al. [1999]
R458 OH + C2 H5 H2 O + C2 H4 4.0 1011 Tsang and Hampson [1986]
R460 OH + C2 H6 H2 O + C2 H5 7.8 1012 e(1020/T ) Atkinson et al. [1992]
R461 OH + C3 H8 H2 O + C3 H7 9.8 1012 e(640/T ) Atkinson et al. [1992]
R463 OH + CO CO2 + H 1.5 1013 Atkinson et al. [1992]
M
R475 CO + H HCO k0 = 1.4 1034 e(100/T ) Wagner and Bowman [1987]
k = 1.96 1013 e(1366/T ) Arai et al. [1981]
R477 CO2 + CH CO + HCO 5.7 1012 e(345/T ) Baulch et al. [1992]
R478 CO2 + 3 CH2 CO + H2 CO 3.9 1014 Tsang and Hampson [1986]
R479 HCO + H CO + H2 1.5 1010 Baulch et al. [1992]
R480 HCO + 3 CH2 CO + CH3 3.0 1011 Tsang and Hampson [1986]
R481 HCO + CH3 CO + CH4 4.4 1011 Mulenko [1987]
M
R482 HCO + CH3 CH3 CHO k0 = 1.0 1031 Estimate
k = 5.0 1011 Callear and Cooper [1990]
R484 HCO + C2 H3 CO + C2 H4 1.5 1010 Tsang and Hampson [1986]
R485 HCO + C2 H5 CO + C2 H6 2.0 1010 Tsang and Hampson [1986]
R486 2HCO CO + H2 CO 5.0 1011 Baulch et al. [1992]
R491 H2 CO + H HCO + H2 3.8 1014 T 1.05 e(1650/T ) Baulch et al. [1992]
R492 H2 CO + CH CO + CH3 8.0 1011 e(260/T ) Est., Baulch et al. [1992]
R493 H2 CCO + H 8.0 1011 e(260/T ) Est., Baulch et al. [1992]
R512 CH3 O + H OH + CH3 7.52 1011 e(375/T ) D
obe et al. [1991]
R513 H2 CO + H2 3.38 1011 e(375/T ) D
obe et al. [1991]
R515 CH3 O + CH3 H2 CO + CH4 4.0 1011 Tsang and Hampson [1986]
R517 CH3 O + C2 H3 H2 CO + C2 H4 4.0 1011 Tsang and Hampson [1986]
R518 CH3 O + C2 H5 H2 CO + C2 H6 4.0 1011 Tsang and Hampson [1986]
R524 CH3 OH + H H2 O + CH3 1.8 1017 T 2.1 e(2450/T ) Tsang [1987]
R525 CH3 OH + H CH2 OH + H2 1.8 1018 T 2.1 e(2450/T ) Tsang [1987]
R536 HCCO + H CO + 3 CH2 2.5 1010 Baulch et al. [1992]
 10

TABLE S3 (cont.)

Reaction Rate constant Reference

R537 H2 CCO + H CO + CH3 3.0 1011 e(1700/T ) Baulch et al. [1992]

R538 H2 CCO + 3 CH2 CO + C2 H4 2.1 1010 Canosa-Mas et al. [1984]
R540 CH3 CO + H H2 CCO + H2 1.92 1011 Ohmori et al. [1990] and
R541 CH3 CO + H HCO + CH3 3.57 1011 Bartels et al. [1991]
R543 CH3 CO + CH3 H2 CCO + CH4 1.0 1011 Hassinen et al. [1990] and
R544 CH3 CO + CH3 CO + C2 H6 4.9 1011 Adachi et al. [1981]
R547 CH3 CHO + H CH3 CO + H2 2.23 1011 e(1661/T ) Whytock et al. [1976a]
R552 C2 H4 OH + H CH3 CHO + H2 8.3 1011 Bartels et al. [1982]
R553 C2 H4 OH + CH3 CH3 CHO + CH4 4.0 1011 Estimate

Reaction numers listed in bold-face type have rate constants that dier from the Moses et al. [2000a, 2000b]
Saturn models. Only reactions with total stratospheric column rates greater than 1 cm2 s1 for Model A
are included in the table. a M represents any third body, prod represents higher-order products. b Two-body
rate constants and high-pressure limiting rate constants for three-body reactions (k ) are in units of cm3 s1 .
Low-pressure limiting rate constants for three-body reactions (k0 ) are in units of cm6 s1 .

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