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 Author(s):   Lockhart, J.P.A.; Goldsmith, C.F.; Randazzo, J.B.; Ruscic, B.; Tranter, R.S.
Title:   An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   3827 - 3850
Year:   2017
Reference type:   Journal article
Squib:   2017LOC/GOL3827-3850

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.

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2017LOC/GOL3827-3850   1,3-Butadiene → C2H3 + C2H3  1000 - 2200   1.81E31   -17.13   5.98E05      1
  2017LOC/GOL3827-3850   1,3-Butadiene → C2H4 + C2H2  1000 - 2200   1.57E26   -12.24   4.65E05      1
  2017LOC/GOL3827-3850   1,3-Butadiene → 2-butyne  1000 - 2200   3.77E29   -16.33   4.56E05      1
  2017LOC/GOL3827-3850   1,3-Butadiene → ·CH3 + ·CH2C≡CH  1000 - 2200   1.48E33   -17.29   5.43E05      1
  2017LOC/GOL3827-3850   1,2-butadiene → 1,3-Butadiene  1000 - 2200   1.08E31   -17.71   4.31E05      1
  2017LOC/GOL3827-3850   1,2-butadiene → ·CH3 + ·CH2C≡CH  1000 - 2200   1.69E32   -17.53   4.56E05      1
  2017LOC/GOL3827-3850   1,2-butadiene → 2-butyne  1000 - 2200   5.63E30   -18.24   4.20E05      1
  2017LOC/GOL3827-3850   2-butyne → CH2=C=C=CH2 + H· + H·  1000 - 2200   5.47E28   -14.66   4.79E05      1
  2017LOC/GOL3827-3850   2-butyne → ·CH3 + ·CH2C≡CH  1000 - 2200   1.20E32   -17.06   4.87E05      1
  2017LOC/GOL3827-3850   1-butyne → ·CH3 + ·CH2C≡CH  1000 - 2200   2.97E32   -17.73   4.54E05      1
  2017LOC/GOL3827-3850   1-butyne → 1,2-butadiene  1000 - 2200   1.98E32   -20.46   4.60E05      1
  2017LOC/GOL3827-3850   1-butyne → 1,3-Butadiene  1000 - 2200   7.40E27   -16.45   4.26E05      1
  2017LOC/GOL3827-3850   1-butyne → 2-butyne  1000 - 2200   5.14E32   -21.38   4.89E05      1
  2017LOC/GOL3827-3850   1,3-Butadiene → ·CH3 + ·CH2C≡CH  1000 - 2200   1.02E73   -50.00   1.02E06      1
  2017LOC/GOL3827-3850   1,2-butadiene → ·CH3 + ·CH2C≡CH  1000 - 2200   1.22E58   -39.63   7.54E05      1
  2017LOC/GOL3827-3850   2-butyne → ·CH3 + ·CH2C≡CH  1000 - 2200   1.23E24   -11.05   3.68E05      1
  2017LOC/GOL3827-3850   1-butyne → ·CH3 + ·CH2C≡CH  1000 - 2200   8.85E44   -28.77   5.88E05      1
Search returned 17 records.