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Title: Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals
Journal: Chem. Phys. Lett.
Volume: 368
Page(s): 215 - 223
Year: 2003
Reference type: Journal article
Squib: 2003URA/TAK215-223
Reaction:
C2F5H + ·OH → C2F5 + H2O
Reaction order:
2
Temperature:
298
K
Rate expression:
1.8x10-15 [cm3/molecule s]
Category: Theory
Data type:
Estimated: thermochemical, kinetic, or other
Comments:
Rate constants were estimated using a new empirical estimation method consisting of two steps.First, bond dissociation enthalpy (BDE) is calculated using the artificial neural network formula.Next, rate constant is estimated using the calculated BDE and an empirical equation.
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