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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.

View full bibliographic record.


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