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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 - 900 K
Pressure:  0.27 bar
Rate expression:   1.12x1013 [s-1] (T/298 K)-5.49 e-67422 [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 2.46E-4
250 2.41E-1
300 1.97E1
350 4.02E2
400 3.49E3
450 1.74E4
500 5.92E4
550 1.53E5
600 3.25E5
650 5.91E5
700 9.60E5
750 1.42E6
800 1.96E6
850 2.55E6
900 3.17E6