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Alarcon, P.; Bohn, B.; Zetzsch, C.; Rayez, M. T.; Rayez, J. C.
Reversible addition of the OH radical to p-cymene in the gas phase: multiple adduct formation. Part 2
Phys. Chem. Chem. Phys.
17315 - 17326
p-Cimene + ·OH → 4-Methylphenol + 2-C3H7
Pressure: 0.76 bar
6.18x10-18 [cm3/molecule s]
Transition state theory
Rate constant is pressure dependent
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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