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Author(s):   Farooq, A.; Davidson, D.F.; Hanson, R.K.; Huynh, L.K.; Violi, A.
Title:   An experimental and computational study of methyl ester decomposition pathways using shock tubes
Journal:   Proc. Combust. Inst.
Volume:   32
Page(s):   247 - 253
Year:   2009
Reference type:   Journal article
Squib:   2009FAR/DAV247-253

Reaction:   CO + CH3 → CH3OC(·)(O)
Reaction order:   2
Temperature:   1260 - 1653 K
Rate expression:   1.97x10-13 [cm3/molecule s] (T/298 K)1.63 e-23380 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Rate constants were calculated using transition state theory with tunneling correction. The temperature range of the calculated temperature dependence was not reported. The temperature range of the experimental shock tube study of methyl acetate pyrolysis performed in the same work is used here.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
1260 2.23E-13
1275 2.33E-13
1300 2.51E-13
1325 2.70E-13
1350 2.89E-13
1375 3.09E-13
1400 3.30E-13
1425 3.52E-13
1450 3.75E-13
1475 3.98E-13
1500 4.23E-13
1525 4.48E-13
1550 4.74E-13
1575 5.01E-13
1600 5.28E-13
1625 5.57E-13
1650 5.86E-13
1653 5.89E-13