Author(s):   Harding, L.B.; Klippenstein, S.J.; Georgievskii, Y.
Title:   On the combination reactions of hydrogen atoms with resonance-stabilized hydrocarbon radicals
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   3789 - 3801
Year:   2007
Reference type:   Journal article
Squib:   2007HAR/KLI3789-3801

Associated entries:

Search Results

Rate expression: k(T) = A (T/298 K)ⁿ e^-Ea/RT
Rate expression units:
First order: s^-1
Second order: cm³/molecule s
Third order: cm⁶/molecule² s
R = 8.314472 J / mole K

Energy Units	J	Molecular Units	Molecule
Pressure Units	bar	Temperature Units	K
Base Volume Unit	cm	Reference Temperature	298.0
Evaluation Temperature	298.0

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Squib	Reaction	Temp [K]	A	n	Ea [J/mole]	k(298.00 K)	Order
2007HAR/KLI3789-3801	CH₂=C=CH + H· → Products	200 - 2000	2.98E-10	0.15	-385	3.48E-10	2
2007HAR/KLI3789-3801	H· + CH=C=CH → CH₂=C=CH	200 - 2000	4.42E-10	0.22	-363	5.12E-10	2
2007HAR/KLI3789-3801	CH₂=C=CH + H· → CH₃CCH	200 - 2000	1.90E-10	0.10	-131	2.00E-10	2
2007HAR/KLI3789-3801	CH₂=C=CH + H· → CH₂=C=CH₂	200 - 2000	1.10E-10	0.21	-724	1.47E-10	2
2007HAR/KLI3789-3801	·CH₂CH=CH₂ + H· → CH₃CH=CH₂	200 - 2000	2.64E-10	0.18	-524	3.26E-10	2
2007HAR/KLI3789-3801	H· + CH₂=C=C=CH· → Products	200 - 2000	1.55E-10	0.19	-677	2.04E-10	2
2007HAR/KLI3789-3801	H· + CH₂=C=C=CH· → CH₂=C=C=CH₂	200 - 2000	1.52E-10	0.12	-440	1.82E-10	2
2007HAR/KLI3789-3801	H· + CH₂=C=C=CH· → Vinylacetylene	200 - 2000	9.98E-12	0.56	-1936	2.18E-11	2
2007HAR/KLI3789-3801	·CH₂CHCCH₂ + H· → Products	200 - 2000	2.01E-10	0.18	-436	2.40E-10	2
2007HAR/KLI3789-3801	·CH₂CHCCH₂ + H· → 1,2-butadiene	200 - 2000	1.63E-10	0.12	-279	1.82E-10	2
2007HAR/KLI3789-3801	·CH₂CHCCH₂ + H· → (E)-CH₂=CHCH=CH₂	200 - 2000	4.10E-11	0.36	-856	5.79E-11	2
2007HAR/KLI3789-3801	CHCCH(·)CH₃ + H· → Products	200 - 2000	1.74E-10	0.26	-708	2.32E-10	2
2007HAR/KLI3789-3801	CHCCH(·)CH₃ + H· → 1,2-butadiene	200 - 2000	1.08E-10	0.23	-649	1.40E-10	2
2007HAR/KLI3789-3801	CHCCH(·)CH₃ + H· → 1-butyne	200 - 2000	6.68E-11	0.31	-778	9.15E-11	2
2007HAR/KLI3789-3801	H· + CH₃C≡CCH₂· → Products	200 - 2000	1.69E-10	0.29	-673	2.22E-10	2
2007HAR/KLI3789-3801	H· + CH₃C≡CCH₂· → 2-butyne	200 - 2000	1.51E-10	0.20	-476	1.83E-10	2
2007HAR/KLI3789-3801	H· + CH₃C≡CCH₂· → Products	200 - 2000	2.22E-11	0.60	-1355	3.84E-11	2
2007HAR/KLI3789-3801	cyc-C₄H₅ + H· → Cyclobutene	200 - 2000	3.16E-10	0.01	-13.55	3.18E-10	2
2007HAR/KLI3789-3801	H₂CCCCCH + H· → Products	200 - 2000	2.30E-10	0.33	-865	3.26E-10	2
2007HAR/KLI3789-3801	H₂CCCCCH + H· → CH₃C≡CC≡CH	200 - 2000	1.42E-10	0.14	-483	1.73E-10	2
2007HAR/KLI3789-3801	H₂CCCCCH + H· → CH₂=C=C=C=CH₂	200 - 2000	8.14E-11	0.40	-817	1.13E-10	2
2007HAR/KLI3789-3801	H₂CCCCCH + H· → CH₂CCHCCH	200 - 2000	1.88E-11	0.68	-1887	4.03E-11	2
2007HAR/KLI3789-3801	HCCCHCCH + H· → Products	200 - 2000	2.11E-10	0.27	-898	3.03E-10	2
2007HAR/KLI3789-3801	HCCCHCCH + H· → CH₂CCHCCH	200 - 2000	1.52E-10	0.25	-840	2.13E-10	2
2007HAR/KLI3789-3801	HCCCHCCH + H· → CH≡CCH₂C≡CH	200 - 2000	5.94E-11	0.31	-1048	9.07E-11	2
2007HAR/KLI3789-3801	cyc-C₅H₅(²A₂) + H· → Cyclopentadiene	200 - 2000	2.60E-10	0.28	-750	3.52E-10	2
2007HAR/KLI3789-3801	cyc-C₅H₅(²B₁) + H· → Cyclopentadiene	200 - 2000	2.19E-10	0.33	-1014	3.30E-10	2
2007HAR/KLI3789-3801	Benzyl + H· → Products	200 - 2000	2.24E-10	0.22	-793	3.09E-10	2
2007HAR/KLI3789-3801	Benzyl + H· → Toluene	200 - 2000	1.65E-10	0.07	-215	1.80E-10	2
2007HAR/KLI3789-3801	Benzyl + H· → 3-Methylene-1,4-cyclohexadiene	200 - 2000	4.45E-11	0.22	-1280	7.46E-11	2
2007HAR/KLI3789-3801	Benzyl + H· → 5-Methylene 1,3-cyclohexadiene	200 - 2000	2.73E-11	0.59	-1746	5.52E-11	2

Search returned 31 records.