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Author(s):   Beste, A.; Buchanan, A.C.; Britt, P.F.; Hathorn, B.C.; Harrison, R.J.
Title:   Kinetic analysis of the pyrolysis of phenethyl phenyl ether: Computational prediction of alpha/beta-selectivities
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   12118 - 12126
Year:   2007
Reference type:   Journal article
Squib:   2007BES/BUC12118-12126

Reaction:   Benzyl + 2-Phenylethyl phenyl ether → C6H5CH2CHOC6H5 + Toluene
Reaction order:   2
Temperature:   600 - 700 K
Rate expression:   2.66x10-7 [cm3/molecule s] e-88701 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
600 5.04E-15
625 1.03E-14
650 1.98E-14
675 3.63E-14
700 6.39E-14