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Accessibility information
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)3CCH2C(CH3)2O· → (CH3)2CO + (CH3)3CCH2
Reaction order:   1
Temperature:   200 - 700 K
Rate expression:   4.6x1013 [s-1] e-35600 [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 2.32E4
250 1.68E6
300 2.91E7
350 2.24E8
400 1.03E9
450 3.39E9
500 8.78E9
550 1.91E10
600 3.66E10
650 6.34E10
700 1.01E11