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Title: Reversible addition of the OH radical to p-cymene in the gas phase: multiple adduct formation. Part 2
Journal: Phys. Chem. Chem. Phys.
Volume: 16
Page(s): 17315 - 17326
Year: 2014
Reference type: Journal article
Squib: 2014ALA/BOH17315-17326
Reaction:
p-Cimene + ·OH → 4-Methylphenol + 2-C3H7
Reaction order:
2
Temperature:
298
K
Pressure: 0.76 bar
Rate expression:
6.18x10-18 [cm3/molecule s]
Category: Experiment
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure dependent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory and RRKM. Rate constant for 400 K is also presented in Table 4 of the article.
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