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Author(s):   Zador, J.; Klippenstein, S.J.; Miller, J.A.
Title:   Pressure-Dependent OH Yields in Alkene plus HO2 Reactions: A Theoretical Study
Journal:   J. Phys. Chem. A
Volume:   115
Page(s):   10218 - 10225
Year:   2011
Reference type:   Journal article
Squib:   2011ZAD/KLI10218-10225

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
  2011ZAD/KLI10218-10225   C2H4 + HO2C2H5OO·  300 - 1200   3.72E-16   2.95   2.97E04      2
  2011ZAD/KLI10218-10225   C2H4 + HO2 → (·)CH2CH2OOH  300 - 1200   6.78E-14   2.49   6.16E04      2
  2011ZAD/KLI10218-10225   CH3CH=CH2 + HO2(CH3)2CHO2  300 - 1200   5.38E-17   3.52   2.14E04      2
  2011ZAD/KLI10218-10225   CH3CH=CH2 + HO2 → ·CH2CH(OOH)CH3  300 - 1200   1.75E-14   2.65   4.69E04      2
  2011ZAD/KLI10218-10225   CH3CH=CH2 + HO2·CH2CH=CH2 + H2O2  300 - 1200   9.86E-15   4.40   5.67E04      2
  2011ZAD/KLI10218-10225   1-C4H8 + HO2H2O2 + CH2=CHCH(·)CH3  300 - 1200   4.31E-15   3.97   4.90E04      2
  2011ZAD/KLI10218-10225   1-C4H8 + HO2 → CH3CH2CH(OOH)CH2·  300 - 1200   5.98E-15   3.00   5.22E04      2
  2011ZAD/KLI10218-10225   1-C4H8 + HO2 → C2H5CH(CH3)OO·  300 - 1200   8.31E-17   3.45   2.43E04      2
  2011ZAD/KLI10218-10225   (E)-2-C4H8 + HO2 → C2H5CH(CH3)OO·  300 - 1200   4.32E-16   3.22   3.93E04      2
  2011ZAD/KLI10218-10225   (E)-2-C4H8 + HO2 → CH3C(·)HCH(CH3)OOH  300 - 1200   3.84E-14   2.58   4.33E04      2
  2011ZAD/KLI10218-10225   Isobutene + HO2(CH3)3CO2  300 - 1200   5.94E-17   3.45   1.82E04      2
  2011ZAD/KLI10218-10225   Isobutene + HO2 → (·)CH2C(CH3)2OOH  300 - 1200   6.42E-15   2.78   4.73E04      2
  2011ZAD/KLI10218-10225   Cyclohexene + HO2 → Cyclohexyldioxyl  300 - 1200   1.84E-16   2.87   2.36E04      2
  2011ZAD/KLI10218-10225   Cyclohexene + HO2 → 2-hydroperoxycyclohexyl radical  300 - 1200   1.77E-13   1.77   4.92E04      2
  2011ZAD/KLI10218-10225   CH2=CHOH + HO2 → CH3CH(OH)O2  300 - 1200   5.54E-17   3.47   1.56E04      2
  2011ZAD/KLI10218-10225   CH2=CHOH + HO2 → ·CH2CH(OOH)OH  300 - 1200   1.73E-16   3.60   3.44E04      2
  2011ZAD/KLI10218-10225   CH2=CHOH + HO2 → HOOCH2CH(·)OH  300 - 1200   3.42E-14   2.40   4.92E04      2
  2011ZAD/KLI10218-10225   Cyclohexene + HO2H2O2 + 3-Cyclohexenyl  300 - 1200   4.06E-13   2.36   5.08E04      2
  2011ZAD/KLI10218-10225   Isobutene + HO2H2O2 + ·CH2C(CH3)=CH2  300 - 1200   7.58E-15   4.12   5.36E04      2
  2011ZAD/KLI10218-10225   (E)-2-C4H8 + HO2H2O2 + CH2=CHCH(·)CH3  300 - 1200   4.51E-15   4.00   5.06E04      2
  2011ZAD/KLI10218-10225   (·)CH2CH2OOH → Oxirane + ·OH  300 - 1200   2.56E12   0.64   6.68E04      1
  2011ZAD/KLI10218-10225   ·CH2CH(OOH)CH3Methyloxirane + ·OH  300 - 1200   1.69E11   1.37   5.60E04      1
  2011ZAD/KLI10218-10225   CH3CH2CH(OOH)CH2· → Ethyloxirane + ·OH  300 - 1200   4.74E10   1.65   5.07E04      1
  2011ZAD/KLI10218-10225   CH3C(·)HCH(CH3)OOH → 2,2-dimethyloxirane + ·OH  300 - 1200   5.05E11   0.68   5.01E04      1
  2011ZAD/KLI10218-10225   (·)CH2C(CH3)2OOH → 2,2-Dimethyloxirane + ·OH  300 - 1200   9.46E11   0.53   4.57E04      1
  2011ZAD/KLI10218-10225   2-hydroperoxycyclohexyl radical → ·OH + 1,2-Epoxycyclohexane  300 - 1200   1.34E12   0.75   4.89E04      1
  2011ZAD/KLI10218-10225   ·CH2CH(OOH)OH → 2-Oxiranol + ·OH  300 - 1200   1.01E13   0.30   5.55E04      1
  2011ZAD/KLI10218-10225   HOOCH2CH(·)OH → 2-Oxiranol + ·OH  300 - 1200   1.67E12   1.39   5.26E04      1

Search returned 28 records.