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 → 3-C₅H₁₁
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   3.32x10⁵ [s^-1] (T/298 K)^6.84 e^{-78580 [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	1.36E-4
500	7.08E-2
600	5.75E0
700	1.57E2
800	2.11E3
900	1.76E4
1000	1.03E5
1100	4.69E5
1200	1.74E6
1300	5.51E6
1400	1.54E7
1500	3.87E7
1600	8.92E7
1700	1.91E8
1800	3.85E8
1900	7.35E8