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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:   CH3OC(·)(O) → CO + CH3
Reaction order:   1
Temperature:   1260 - 1653 K
Rate expression:   1.13x1014 [s-1] (T/298 K)0.48 e-99608 [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) [s-1]
1260 1.67E10
1275 1.88E10
1300 2.27E10
1325 2.73E10
1350 3.26E10
1375 3.86E10
1400 4.55E10
1425 5.33E10
1450 6.22E10
1475 7.21E10
1500 8.32E10
1525 9.56E10
1550 1.09E11
1575 1.25E11
1600 1.41E11
1625 1.60E11
1650 1.80E11
1653 1.83E11