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Accessibility information
Author(s):   Hatipoglu, A.; Cinar, Z.
Title:   A QSAR study on the kinetics of the reactions of aliphatic alcohols with the photogenerated hydroxyl radicals
Journal:   J. Mol. Struct. THEOCHEM
Volume:   631
Page(s):   189 - 207
Year:   2003
Reference type:   Journal article
Squib:   2003HAT/CIN189-207

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
  2003HAT/CIN189-207   CH3OH + ·OH(·)CH2OH + H2O  298   1.92E-14           1.92E-14  2
  2003HAT/CIN189-207   CH3OH + ·OHCH3 + H2O  298   4.80E-20           4.80E-20  2
  2003HAT/CIN189-207   CH3OH + ·OH → Other Products + H2O  298   1.92E-14           1.92E-14  2
  2003HAT/CIN189-207   C2H5OH + ·OHCH3CHOH + H2O  298   3.08E-13           3.08E-13  2
  2003HAT/CIN189-207   C2H5OH + ·OHHOCH2CH2 + H2O  298   1.17E-16           1.17E-16  2
  2003HAT/CIN189-207   C2H5OH + ·OHCH3CH2 + H2O  298   1.39E-19           1.39E-19  2
  2003HAT/CIN189-207   C2H5OH + ·OH → Other Products + H2O  298   3.08E-13           3.08E-13  2
  2003HAT/CIN189-207   n-C3H7OH + ·OH → C2H5CHOH + H2O  298   4.60E-13           4.60E-13  2
  2003HAT/CIN189-207   n-C3H7OH + ·OH → CH3CHCH2OH + H2O  298   2.02E-15           2.02E-15  2
  2003HAT/CIN189-207   n-C3H7OH + ·OH → HOCH2CH2CH2 + H2O  298   2.85E-16           2.85E-16  2
  2003HAT/CIN189-207   n-C3H7OH + ·OHH2O + n-C3H7O  298   3.65E-20           3.65E-20  2
  2003HAT/CIN189-207   n-C3H7OH + ·OH → Other Products + H2O  298   4.62E-13           4.62E-13  2
  2003HAT/CIN189-207   n-C4H9OH + ·OHH2O + CH3CH2CH2C(·)HOH  298   1.39E-13           1.39E-13  2
  2003HAT/CIN189-207   n-C4H9OH + ·OH → CH3CH2CH(·)CH2OH + H2O  298   9.21E-18           9.21E-18  2
  2003HAT/CIN189-207   n-C4H9OH + ·OH → CH3CH(·)CH2CH2OH + H2O  298   6.71E-15           6.71E-15  2
  2003HAT/CIN189-207   n-C4H9OH + ·OH → HOCH2CH2CH2CH2 + H2O  298   5.25E-18           5.25E-18  2
  2003HAT/CIN189-207   n-C4H9OH + ·OHH2O + CH3CH2CH2CH2  298   1.14E-20           1.14E-20  2
  2003HAT/CIN189-207   n-C4H9OH + ·OH → Other Products + H2O  298   1.46E-13           1.46E-13  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → Other Products + H2O  298   5.00E-13           5.00E-13  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → CH3CH2CH2CH2CH(.)OH + H2O  298   4.99E-13           4.99E-13  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → CH3CH2CH2CH(·)CH2OH + H2O  298   3.69E-17           3.69E-17  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → CH3CH2CH(.)CH2CH2OH + H2O  298   2.10E-16           2.10E-16  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → CH3CH(·)CH2CH2CH2OH + H2O  298   1.81E-16           1.81E-16  2
  2003HAT/CIN189-207   n-C5H11OH + ·OH → ·CH2CH2CH2CH2CH2OH + H2O  298   4.02E-16           4.02E-16  2
  2003HAT/CIN189-207   n-C5H11OH + ·OHH2O + n-C5H11  298   1.72E-23           1.72E-23  2
  2003HAT/CIN189-207   ·OH + Cyclopropanol → trans-cyclopropanol-2-yl radical + H2O  298   8.26E-19           8.26E-19  2
  2003HAT/CIN189-207   ·OH + Cyclopropanol → cis-cyclopropanol-2-yl radical + H2O  298   1.35E-18           1.35E-18  2
  2003HAT/CIN189-207   ·OH + Cyclopropanol → cyclopropoxy radical + H2O  298   4.15E-22           4.15E-22  2
  2003HAT/CIN189-207   ·OH + Cyclopropanol → Other Products + H2O  298   1.52E-17           1.52E-17  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → Other Products + H2O  298   1.88E-16           1.88E-16  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → cyclobutanol-1-yl radical + H2O  298   6.19E-17           6.19E-17  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → trans-cyclobutanol-2-yl radical + H2O  298   4.29E-18           4.29E-18  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → cis-cyclobutanol-2-yl radical + H2O  298   8.39E-18           8.39E-18  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → trans-cyclobutanol-3-yl radical + H2O  298   9.39E-17           9.39E-17  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → cis-cyclobutanol-3-yl radical + H2O  298   1.98E-17           1.98E-17  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → cyclobutoxy radical + H2O  298   5.99E-22           5.99E-22  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → cyclopentanol-1-yl radical + H2O  298   3.77E-16           3.77E-16  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → trans-cyclopentanol-2-yl radical + H2O  298   4.15E-18           4.15E-18  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → cis-cyclopentanol-2-yl radical + H2O  298   5.57E-17           5.57E-17  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → trans-cyclopentanol-3-yl radical + H2O  298   5.76E-16           5.76E-16  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → cis-cyclopentanol-3-yl radical + H2O  298   3.35E-16           3.35E-16  2
  2003HAT/CIN189-207   Cyclopentanol + ·OHH2O + cyclopentyloxy  298   5.12E-23           5.12E-23  2
  2003HAT/CIN189-207   Cyclopentanol + ·OH → Other Products + H2O  298   3.35E-15           3.35E-15  2
  2003HAT/CIN189-207   Cyclobutanol + ·OH → Other Products + H2O  298   1.88E-16           1.88E-16  2

Search returned 44 records.