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Author(s):   Matsubara, H.; Ryu, I.; Schiesser, C.H.
Title:   An ab initio and DFT study of some halogen atom transfer reactions from alkyl groups to acyl radical
Journal:   Org. Biomolecular Chem.
Volume:   5
Page(s):   3320 - 3324
Year:   2007
Reference type:   Journal article
Squib:   2007MAT/RYU3320-3324

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

Use the Plot checkboxes to select data for plotting. Plot selected data using the "Create Plot" button. Click the squib to see extra information about a particular rate constant. Additional help is available.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
    2007MAT/RYU3320-3324   CH3Cl + CH3COCH3COCl + ·CH3                     2
    2007MAT/RYU3320-3324   CH3Br + CH3COCH3COBr + ·CH3                     2
    2007MAT/RYU3320-3324   CH3I + CH3COCH3C(O)I + ·CH3                     2
    2007MAT/RYU3320-3324   C2H5Cl + CH3COCH3COCl + ·C2H5                     2
    2007MAT/RYU3320-3324   C2H5Br + CH3COCH3COBr + ·C2H5                     2
    2007MAT/RYU3320-3324   C2H5I + CH3COCH3C(O)I + ·C2H5                     2
    2007MAT/RYU3320-3324   iso-C3H7Cl + CH3COCH3COCl + iso-C3H7                     2
    2007MAT/RYU3320-3324   iso-C3H7Br + CH3COCH3COBr + iso-C3H7                     2
    2007MAT/RYU3320-3324   iso-C3H7I + CH3COCH3C(O)I + iso-C3H7                     2
    2007MAT/RYU3320-3324   tert-C4H9Cl + CH3COCH3COCl + tert-C4H9                     2
    2007MAT/RYU3320-3324   tert-C4H9Br + CH3COCH3COBr + tert-C4H9                     2
    2007MAT/RYU3320-3324   tert-C4H9I + CH3COCH3C(O)I + tert-C4H9                     2

Search returned 12 records.