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 → CH₃CH=CH₂ + ·C₂H₅
Reaction order:   1
Temperature:   400 - 1900 K
Rate expression:   1.92x10¹³ [s^-1] (T/298 K)^0.27 e^{-121923 [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.

Typographical error for this reaction in Table S2 of the reference was corrected: Log A/s-1 is 12.61, not 2.61.

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
400	2.49E-3
500	4.05E0
600	5.64E2
700	1.93E4
800	2.75E5
900	2.17E6
1000	1.14E7
1100	4.44E7
1200	1.38E8
1300	3.62E8
1400	8.26E8
1500	1.69E9
1600	3.17E9
1700	5.53E9
1800	9.07E9
1900	1.41E10