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Accessibility information
Author(s):   Somnitz, H.
Title:   The contribution of tunnelling to the 1,5 H-shift isomerisation reaction of alkoxyl radicals
Journal:   Phys. Chem. Chem. Phys.
Volume:   10
Page(s):   965 - 973
Year:   2008
Reference type:   Journal article
Squib:   2008SOM965-973

Reaction:   2-pentoxy radical → CH3CH2CH2CHO + ·CH3
Reaction order:   1
Temperature:   200 - 1000 K
Rate expression:   8.16x1013 [s-1] e-65726 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is high pressure limit

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 5.57E-4
250 1.51E0
300 2.94E2
350 1.27E4
400 2.13E5
450 1.92E6
500 1.11E7
550 4.67E7
600 1.55E8
650 4.27E8
700 1.02E9
750 2.16E9
800 4.17E9
850 7.46E9
900 1.25E10
950 1.99E10
1000 3.01E10