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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
Pressure:  1.01 bar
Rate expression:   2.29x1014 [s-1] (T/298 K)-6.00 e-71637 [J/mole]/RT
Category:  Theory
Data type:   Ab initio

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 4.89E-4
250 7.08E-1
300 7.40E1
350 1.78E3
400 1.73E4
450 9.35E4
500 3.37E5
550 9.11E5
600 1.99E6
650 3.72E6
700 6.15E6
750 9.24E6
800 1.29E7
850 1.68E7
900 2.10E7
950 2.51E7
1000 2.91E7