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Author(s):   Weng, J.-J.; Liu, Y.-X.; Wang, B.-Y.; Xing, L.-L.; Zhang, L.-D.; Tian, Z.-Y.
Title:   Experimental and kinetic investigation of 1,2,4-trimethylbenzene oxidation at low temperature
Journal:   Proc. Combust. Inst.
Volume:   36
Page(s):   909 - 917
Year:   2017
Reference type:   Journal article
Squib:   2017WEN/LIU909-917

Reaction:   1,2,4-Trimethylbenzene + ·OH → 3,4-dimethylphenyl-methoxy + H2
Reaction order:   2
Temperature:   700 - 1100 K
Rate expression:   6.59x10-12 [cm3/molecule s] (T/298 K)1.47 e-65019 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
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) [cm3/molecule s]
700 3.25E-16
725 5.03E-16
750 7.58E-16
775 1.11E-15
800 1.60E-15
825 2.25E-15
850 3.11E-15
875 4.22E-15
900 5.63E-15
925 7.42E-15
950 9.64E-15
975 1.24E-14
1000 1.57E-14
1025 1.97E-14
1050 2.45E-14
1075 3.01E-14
1100 3.67E-14