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Author(s):   Song, G.; Bozzelli, J.W.
Title:   Reaction pathways, kinetics and thermochemistry of the chemically-activated and stabilized primary methyl radical of methyl ethyl sulfide, CH3CH2SCH2 center dot, with O-3(2) to CH2CH3SCH2OO center dot
Journal:   Combust. Flame
Volume:   204
Page(s):   368 - 379
Year:   2019
Reference type:   Journal article
Squib:   2019SON/BOZ368-379

Reaction:   ·OOCH2SCH2CH3CH3CH2S + CH2OO
Reaction order:   1
Temperature:   300 - 2000 K
Rate expression:   7.63x1010 [s-1] (T/298 K)1.06 e-198154 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 2.43E-24
400 1.39E-15
500 2.63E-10
600 9.00E-7
700 3.09E-4
800 2.51E-2
900 7.78E-1
1000 1.23E1
1100 1.19E2
1200 7.92E2
1300 3.97E3
1400 1.59E4
1500 5.33E4
1600 1.54E5
1700 3.94E5
1800 9.13E5
1900 1.94E6
2000 3.84E6