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Author(s):   Parandaman, A.; Rajakumar, B.
Title:   Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether
Journal:   Combust. Flame
Volume:   186
Page(s):   263 - 276
Year:   2017
Reference type:   Journal article
Squib:   2017PAR/RAJ263-276

Reaction:   2-Chloroethyl methyl etherCH2=CHOCH3 + HCl
Reaction order:   1
Temperature:   500 - 2000 K
Rate expression:   2.3x1014 [s-1] e-282420 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory and RRKM.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
500 7.21E-16
600 5.96E-11
700 1.94E-7
800 8.36E-5
900 9.35E-3
1000 4.07E-1
1100 8.93E0
1200 1.17E2
1300 1.03E3
1400 6.68E3
1500 3.37E4
1600 1.39E5
1700 4.83E5
1800 1.47E6
1900 3.96E6
2000 9.68E6