NIST Chemical Kinetics Database

Author(s):   Manion, J.A.; Awan, I.A.
Title:   The decomposition of 2-pentyl and 3-pentyl radicals
Journal:   Proc. Combust. Inst.
Volume:   34
Page(s):   537 - 545
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013MAN/AWA537-545

Reaction:   CH₃CH₂CH₂CH(·)CH₃ → 2-(E)-C₅H₁₀ + H·
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   1.2x10¹² [s^-1] (T/298 K)^1.22 e^{-143333 [J/mole]/RT}
Category: Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Rate constants were calculated using transition state theory using potential energy surface properties from the literature.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
400	3.29E-7
500	2.39E-3
600	9.36E-1
700	6.85E1
800	1.75E3
900	2.22E4
1000	1.71E5
1100	9.21E5
1200	3.78E6
1300	1.26E7
1400	3.55E7
1500	8.78E7
1600	1.95E8
1700	3.95E8
1800	7.45E8
1900	1.32E9