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:   3-C₅H₁₁ → 1-C₅H₁₁
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   1.24x10⁵ [s^-1] (T/298 K)^7.51 e^{-89264 [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	2.50E-6
500	2.87E-3
600	4.04E-1
700	1.66E1
800	3.08E2
900	3.31E3
1000	2.41E4
1100	1.31E5
1200	5.68E5
1300	2.06E6
1400	6.50E6
1500	1.82E7
1600	4.62E7
1700	1.08E8
1800	2.36E8
1900	4.85E8