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Author(s):   Galano, A.; Alvarez-Idaboy, J.R.; Bravo-Perez, G.; Ruiz-Santoyo, Ma. E.
Title:   Gas Phase Reactions of C1-C4 Alcohols with the OH Radical: A Quantum Mechanical Approach
Journal:   Phys. Chem. Chem. Phys.
Volume:   4
Page(s):   4648 - 4662
Year:   2002
Reference type:   Journal article
Squib:   2002GAL/ALV4648-4662

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
  2002GAL/ALV4648-4662   CH3OH + ·OH → Products  298   6.82E-13           6.82E-13  2
  2002GAL/ALV4648-4662   C2H5OH + ·OH → Products  298   2.40E-12           2.40E-12  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OH → Products  298   4.04E-12           4.04E-12  2
  2002GAL/ALV4648-4662   iso-C3H7OH + ·OH → Products  298   4.19E-12           4.19E-12  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OH → Products  298   6.88E-12           6.88E-12  2
  2002GAL/ALV4648-4662   CH3OH + ·OH → Products  290 - 500   1.32E-12       1829   6.31E-13  2
  2002GAL/ALV4648-4662   CH3OH + ·OH(·)CH2OH + H2O  290 - 500   1.93E-12       3825   4.12E-13  2
  2002GAL/ALV4648-4662   CH3OH + ·OHCH3 + H2O  290 - 500   3.19E-14       -4797   2.21E-13  2
  2002GAL/ALV4648-4662   C2H5OH + ·OH → Products  290 - 500   2.20E-12       -83.14   2.28E-12  2
  2002GAL/ALV4648-4662   C2H5OH + ·OHHOCH2CH2 + H2O  290 - 500   2.53E-12       831   1.81E-12  2
  2002GAL/ALV4648-4662   C2H5OH + ·OHCH3CHOH + H2O  290 - 500   4.02E-14       -3309   1.53E-13  2
  2002GAL/ALV4648-4662   C2H5OH + ·OHCH3CH2 + H2O  290 - 500   2.45E-14       -6327   3.15E-13  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OH → Products  290 - 500   1.53E-12       -2245   3.79E-12  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OH → HOCH2CH2CH2 + H2O  290 - 500   2.04E-12       91.46   1.97E-12  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OH → CH3CHCH2OH + H2O  290 - 500   8.79E-14       -7017   1.49E-12  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OH → C2H5CHOH + H2O  290 - 500   6.85E-14       -2669   2.01E-13  2
  2002GAL/ALV4648-4662   iso-C3H7OH + ·OH → Products  290 - 500   1.30E-12       -2802   4.03E-12  2
  2002GAL/ALV4648-4662   iso-C3H7OH + ·OH → CH3CH(OH)CH2 + H2O  290 - 500   1.26E-14       -2378   3.29E-14  2
  2002GAL/ALV4648-4662   iso-C3H7OH + ·OH → (CH3)2C(OH) + H2O  290 - 500   8.98E-14       -3650   3.92E-13  2
  2002GAL/ALV4648-4662   iso-C3H7OH + ·OH → OCH(CH3)2 + H2O  290 - 500   1.98E-14       -7009   3.35E-13  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OH → Products  290 - 500   9.27E-13       -4789   6.41E-12  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OH → HOCH2CH2CH2CH2 + H2O  290 - 500   1.98E-12       258   1.78E-12  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OH → CH3CH(·)CH2CH2OH + H2O  290 - 500   6.24E-14       -7724   1.41E-12  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OH → CH3CH2CH(·)CH2OH + H2O  290 - 500   7.82E-14       -9146   3.14E-12  2
  2002GAL/ALV4648-4662   n-C4H9OH + ·OHH2O + CH3CH2CH2CH2  290 - 500   3.36E-14       -4506   2.07E-13  2
  2002GAL/ALV4648-4662   n-C3H7OH + ·OHH2O + n-C3H7O  290 - 500   3.23E-14       -4008   1.63E-13  2

Search returned 26 records.