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Author(s):   McGillen, M. R.; Baasandorj, M.; Burkholder, J. B.
Title:   Gas-Phase Rate Coefficients for the OH plus n-, i-, s-, and t-Butanol Reactions Measured Between 220 and 380 K: Non-Arrhenius Behavior and Site-Specific Reactivity
Journal:   J. Phys. Chem. A
Volume:   117
Page(s):   4636 - 4656
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013MCG/BAA4636-4656

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
    2013MCG/BAA4636-4656   tert-C4H9OH + ·OH → Products  221 - 381               0.00E00  2
    2013MCG/BAA4636-4656   iso-C4H9OH + ·OH → Products  224 - 381               0.00E00  2
    2013MCG/BAA4636-4656   sec-C4H9OH + ·OH → Products  226 - 381               0.00E00  2
    2013MCG/BAA4636-4656   n-C4H9OH + ·OH → Products  221 - 381               0.00E00  2
  2013MCG/BAA4636-4656   n-C4H9OH + ·OH → CH3CH2CH2CH(·)OH + H2O  200 - 1800   3.80E-13   1.93   -6585   5.42E-12  2
  2013MCG/BAA4636-4656   n-C4H9OH + ·OH → CH3CH2CH(·)CH2OH + H2O  200 - 1800   4.88E-15   4.11   -1.54E04   2.49E-12  2
  2013MCG/BAA4636-4656   n-C4H9OH + ·OH → CH3CH(·)CH2CH2OH + H2O  200 - 1800   9.81E-14   2.67   -6627   1.42E-12  2
  2013MCG/BAA4636-4656   n-C4H9OH + ·OH → (·)CH2CH2CH2CH2OH + H2O  200 - 1800   3.99E-13   2.00   2145   1.68E-13  2
  2013MCG/BAA4636-4656   n-C4H9OH + ·OH → H2O + CH3CH2CH2CH2O·  200 - 1800   1.86E-13   2.00   191   1.73E-13  2
  2013MCG/BAA4636-4656   iso-C4H9OH + ·OH → (CH3)2CHC(·)HOH + H2O  200 - 1800   2.45E-13   2.18   -7683   5.45E-12  2
  2013MCG/BAA4636-4656   iso-C4H9OH + ·OH → (CH3)2C(·)CH2OH + H2O  200 - 1800   5.55E-14   2.64   -1.07E04   4.19E-12  2
  2013MCG/BAA4636-4656   iso-C4H9OH + ·OH → ·CH2CH(CH3)CH2OH + H2O  200 - 1800   7.97E-13   2.00   2145   3.36E-13  2
  2013MCG/BAA4636-4656   iso-C4H9OH + ·OH → H2O + (CH3)2CHCH2O·  200 - 1800   1.86E-13   2.00   191   1.73E-13  2
  2013MCG/BAA4636-4656   sec-C4H9OH + ·OH → CH3CH2C(·)(OH)CH3 + H2O  200 - 1800   1.36E-13   2.20   -9204   5.59E-12  2
  2013MCG/BAA4636-4656   sec-C4H9OH + ·OH → CH3CH(·)CH(OH)CH3 + H2O  200 - 1800   1.67E-13   2.52   -5454   1.51E-12  2
  2013MCG/BAA4636-4656   sec-C4H9OH + ·OH → H2O + CH3CH2CH(CH3)O·  200 - 1800   1.86E-13   2.00   191   1.73E-13  2
  2013MCG/BAA4636-4656   tert-C4H9OH + ·OH → (CH3)2C(OH)CH2· + H2O  200 - 1800   1.19E-12   2.00   1887   5.56E-13  2
  2013MCG/BAA4636-4656   tert-C4H9OH + ·OH → (CH3)3CO· + H2O  200 - 1800   1.86E-13   2.00   191   1.73E-13  2
Search returned 18 records.