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Author(s):   Schwartz, M.; Marshall, P.; Berry, R.J.; Ehlers, C.J.; Petersson, G.A.
Title:   Computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical
Journal:   J. Phys. Chem. A
Volume:   102
Page(s):   10074 - 10081
Year:   1998
Reference type:   Journal article
Squib:   1998SCH/MAR10074-10081

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
  1998SCH/MAR10074-10081   CH3F + ·OH·CH2F + H2O  200 - 2500   7.35E-14   3.35   3060   2.14E-14  2
  1998SCH/MAR10074-10081   CH4 + ·OH·CH3 + H2O  200 - 2500   1.22E-13   3.21   6593   8.50E-15  2
  1998SCH/MAR10074-10081   CH2F2 + ·OH·CHF2 + H2O  200 - 2500   5.41E-14   3.27   3983   1.08E-14  2
  1998SCH/MAR10074-10081   CHF3 + ·OH·CF3 + H2O  200 - 2500   1.31E-14   3.66   8863   3.65E-16  2

Search returned 4 records.