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Author(s):   Buback, M.; Kling, M.; Schmatz, S.
Title:   Decomposition of tertiary alkoxy radicals
Journal:   Z. Phys. Chem.
Volume:   219
Page(s):   1205 - 1222
Year:   2005
Reference type:   Journal article
Squib:   2005BUB/KLI1205-1222

Reaction:   (CH3)3CC(CH3)2O· → (CH3)2CO + tert-C4H9
Reaction order:   1
Temperature:   200 - 700 K
Rate expression:   1.1x1014 [s-1] e-20800 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 4.07E8
250 4.96E9
300 2.63E10
350 8.65E10
400 2.11E11
450 4.24E11
500 7.39E11
550 1.16E12
600 1.70E12
650 2.34E12
700 3.09E12