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 → 1-C₅H₁₁
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   1.29x10⁸ [s^-1] (T/298 K)^3.53 e^{-75238 [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	5.46E-2
500	1.11E1
600	4.31E2
700	6.41E3
800	5.17E4
900	2.75E5
1000	1.09E6
1100	3.48E6
1200	9.39E6
1300	2.23E7
1400	4.76E7
1500	9.34E7
1600	1.71E8
1700	2.95E8
1800	4.86E8
1900	7.66E8