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Accessibility information
Author(s):   Cohen, N.; Benson, S.W.
Title:   Transition-state-theory calculations for reactions of OH with haloalkanes
Journal:   J. Phys. Chem.
Volume:   91
Page(s):   162 - 170
Year:   1987
Reference type:   Journal article
Squib:   1987COH/BEN162-170

Associated entries:

Search Results


Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

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| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  1987COH/BEN162-170   CHCl3 + ·OH·CCl3 + H2O  298 - 2000   1.76E-13   1.70   1413   9.95E-14  2
  1987COH/BEN162-170   CH3CCl3 + ·OHH2O + CCl3CH2  298 - 2000   2.09E-12   1.10   1.34E04   9.42E-15  2
  1987COH/BEN162-170   CH4 + ·OH·CH3 + H2O  298 - 1500   2.47E-12   1.40   1.42E04   7.97E-15  2
  1987COH/BEN162-170   CH3Br + ·OHH2O + ·CH2Br  298 - 2000   2.27E-12   1.30   9977   4.06E-14  2
  1987COH/BEN162-170   CH3Cl + ·OH·CH2Cl + H2O  298 - 2000   2.42E-12   1.40   1.02E04   3.91E-14  2
  1987COH/BEN162-170   C2H5Cl + ·OH → Other Products + H2O  298 - 2000   8.70E-13   1.60   2079   3.76E-13  2
  1987COH/BEN162-170   CH2Cl2 + ·OHCHCl2 + H2O  298 - 2000   9.10E-13   1.60   4324   1.59E-13  2
  1987COH/BEN162-170   CH2F2 + ·OH·CHF2 + H2O  298 - 2000   7.52E-13   1.70   1.07E04   9.92E-15  2
  1987COH/BEN162-170   CH3CHCl2 + ·OH → Other Products + H2O  298 - 2000   3.16E-13   1.60   499   2.58E-13  2
  1987COH/BEN162-170   CH3CHF2 + ·OH → Other Products + H2O  298 - 2000   3.79E-13   1.60   5072   4.89E-14  2
  1987COH/BEN162-170   CHFCl2 + ·OH·CCl2F + H2O  298 - 2000   2.44E-13   1.70   5072   3.15E-14  2
  1987COH/BEN162-170   CHF2Cl + ·OH·CClF2 + H2O  298 - 2000   2.31E-13   1.80   9811   4.40E-15  2
  1987COH/BEN162-170   CHF3 + ·OH·CF3 + H2O  298 - 2000   2.72E-13   1.80   1.80E04   1.94E-16  2
  1987COH/BEN162-170   CH3CF2Cl + ·OH → CF2ClCH2· + H2O  298 - 2000   2.64E-12   1.10   1.50E04   6.29E-15  2
  1987COH/BEN162-170   CF3CH2Cl + ·OHH2O + CF3CHCl  298 - 2000   4.23E-13   1.70   8481   1.38E-14  2
  1987COH/BEN162-170   CHCl2CH2Cl + ·OH → Other Products + H2O  298 - 2000   4.23E-13   1.70   831   3.03E-13  2
  1987COH/BEN162-170   CH2BrCH2Br + ·OH → Other Products + H2O  298 - 2000   4.75E-13   1.70   1497   2.60E-13  2
  1987COH/BEN162-170   CF3CHCl2 + ·OHH2O + CF3CCl2  298 - 2000   1.16E-13   1.70   2577   4.11E-14  2
  1987COH/BEN162-170   C2H5F + ·OH → Other Products + H2O  298 - 2000   1.41E-12   1.60   4573   2.23E-13  2
  1987COH/BEN162-170   C2F5H + ·OHC2F5 + H2O  298 - 2000   2.13E-13   1.60   9395   4.79E-15  2
  1987COH/BEN162-170   CHF2CHF2 + ·OHH2O + CHF2CF2  298 - 2000   4.23E-13   1.70   1.11E04   4.88E-15  2
  1987COH/BEN162-170   CH3CF3 + ·OHCF3CH2 + H2O  298 - 2000   3.57E-12   1.10   1.95E04   1.34E-15  2
  1987COH/BEN162-170   CH2FCHF2 + ·OH → Other Products + H2O  298 - 2000   8.25E-13   1.70   7150   4.61E-14  2
  1987COH/BEN162-170   CH3F + ·OH·CH2F + H2O  298 - 2000   2.19E-12   1.50   1.23E04   1.53E-14  2
  1987COH/BEN162-170   CH2FCl + ·OHH2O + ·CClFH  298 - 2000   8.49E-13   1.60   7234   4.58E-14  2
  1987COH/BEN162-170   CH2FCH2F + ·OHH2O + CH2FCHF  298 - 2000   1.65E-12   1.70   6735   1.09E-13  2
  1987COH/BEN162-170   CF3CH2F + ·OHH2O + CF3CHF  298 - 2000   5.58E-13   1.70   1.06E04   7.87E-15  2
  1987COH/BEN162-170   CF2ClCH2Cl + ·OH → ·CHClCClF2 + H2O  298 - 2000   4.04E-13   1.70   6735   2.66E-14  2
  1987COH/BEN162-170   CF3CHFCl + ·OH → CF3CFCl· + H2O  298 - 2000   1.34E-13   1.70   5986   1.19E-14  2

Search returned 29 records.