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:   1-C₅H₁₁ → 1-C₅H₁₀ + H·
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   4.58x10¹² [s^-1] (T/298 K)^0.95 e^{-141462 [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	2.04E-6
500	1.25E-2
600	4.31E0
700	2.86E2
800	6.79E3
900	8.06E4
1000	5.90E5
1100	3.03E6
1200	1.20E7
1300	3.84E7
1400	1.05E8
1500	2.52E8
1600	5.44E8
1700	1.08E9
1800	1.98E9
1900	3.43E9