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Author(s):   Chuchani, G.; Rotinov, A.; Andres, J.; Domingo, L.r.; Safont, V.S.
Title:   A Combined Experimental and Theoretical Study of the Homogeneous, Reaction of HNO3 and NaCl(100)
Journal:   J. Phys. Chem. A
Volume:   105
Page(s):   1869 - 1875
Year:   2001
Reference type:   Journal article
Squib:   2001CHU/ROT1869-1875

Reaction:   CH2ClC(CH3)2COOHiso-C4H8 + CO2 + HCl
Reaction order:   1
Temperature:   654 - 703 K
Rate expression:   5.13x1013 [s-1] e-227100 [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.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
654 3.65E-5
675 1.37E-4
700 5.81E-4
703 6.96E-4