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©NIST, 2013
Accessibility information
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 etherCH3Cl + CH2OCH2
Reaction order:   1
Temperature:   500 - 2000 K
Rate expression:   4.21x1013 [s-1] e-404174 [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 2.52E-29
600 2.74E-22
700 2.92E-17
800 1.72E-13
900 1.47E-10
1000 3.26E-8
1100 2.70E-6
1200 1.07E-4
1300 2.42E-3
1400 3.50E-2
1500 3.55E-1
1600 2.69E0
1700 1.61E1
1800 7.86E1
1900 3.26E2
2000 1.17E3