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Author(s):   Pimentel, A.S.; Tyndall, G.S.; Orlando, J.J.; Hurley, M.D.; Wallington, T.J.; Andersen, M.PS.; Marshall, P.; Dibble, T.S.
Title:   Atmospheric Chemistry of Isopropyl Formate and tert-Butyl Formate
Journal:   Int. J. Chem. Kinet.
Volume:   42
Page(s):   479 - 498
Year:   2010
Reference type:   Journal article
Squib:   2010PIM/TYN479-498

Reaction:   HC(O)OC(CH3)2O· → (CH3)2CO + HCOO
Reaction order:   1
Temperature:   200 - 400 K
Rate expression:   1.9x1013 [s-1] e-62342 [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.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 9.93E-4
225 6.40E-2
250 1.79E0
275 2.74E1
300 2.66E2
325 1.82E3
350 9.44E3
375 3.94E4
400 1.37E5