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Accessibility information
Author(s):   Louis, F.; Gonzalez, C.A.; Huie, R.; Kurylo, M.J.
Title:   An ab Initio Study of the Kinetics of the Reactions of Halomethanes with the Hydroxyl Radical. 2. A Comparison between Theoretical and Experimental Values of the Kinetic Parameters for 12 Partially Halogenated Methanes
Journal:   J. Phys. Chem. A
Volume:   104
Page(s):   8773 - 8778
Year:   2000
Reference type:   Journal article
Squib:   2000LOU/GON8773-8778

Associated entries:

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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
  2000LOU/GON8773-8778   CH3F + ·OH·CH2F + H2O  250 - 400   1.90E-12       1.32E04   9.31E-15  2
  2000LOU/GON8773-8778   CH3Cl + ·OH·CH2Cl + H2O  250 - 400   5.70E-12       1.25E04   3.71E-14  2
  2000LOU/GON8773-8778   CH2F2 + ·OH·CHF2 + H2O  250 - 400   5.40E-12       1.34E04   2.43E-14  2
  2000LOU/GON8773-8778   CH2FCl + ·OHH2O + ·CClFH  250 - 400   3.90E-12       1.18E04   3.38E-14  2
  2000LOU/GON8773-8778   CH2Cl2 + ·OHCHCl2 + H2O  250 - 400   2.40E-12       7525   1.15E-13  2
  2000LOU/GON8773-8778   CH2ClBr + ·OHH2O + ·CHBrCl  250 - 400   2.20E-12       7857   9.23E-14  2
  2000LOU/GON8773-8778   CH2Br2 + ·OHH2O + CHBr2  250 - 400   2.50E-12       8273   8.87E-14  2
  2000LOU/GON8773-8778   CHF3 + ·OH·CF3 + H2O  250 - 400   2.00E-12       2.28E04   2.00E-16  2
  2000LOU/GON8773-8778   CHF2Cl + ·OH·CClF2 + H2O  250 - 400   1.60E-12       1.45E04   4.66E-15  2
  2000LOU/GON8773-8778   CHBrF2 + ·OHH2O + CBrF2  250 - 400   1.50E-12       1.25E04   9.61E-15  2
  2000LOU/GON8773-8778   CHFCl2 + ·OH·CCl2F + H2O  250 - 400   1.50E-12       8772   4.35E-14  2
  2000LOU/GON8773-8778   CHCl3 + ·OH·CCl3 + H2O  250 - 400   9.00E-13       2868   2.83E-13  2

Search returned 12 records.