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Accessibility information
Author(s):   Bui, B.H.; Zhu, R.S.; Lin, M.C.
Title:   Thermal Decomposition of Iso-Propanol: First-Principles Prediction of Total and Product-Branching Rate Constants
Journal:   J. Chem. Phys.
Volume:   117
Page(s):   11188 - 11195
Year:   2002
Reference type:   Journal article
Squib:   2002BUI/ZHU11188-11195

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.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2002BUI/ZHU11188-11195   iso-C3H7OH·CH3 + CH3CHOH  500 - 2500   492   -16.21   3.94E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OH·CH3 + CH3CHOH  500 - 2500   6.43E32   -19.56   4.65E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH·CH3 + CH3CHOH  500 - 2500   3.88E31   -17.06   4.60E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH·CH3 + CH3CHOH  500 - 2500   4.21E20   -3.75   3.81E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH3CH=CH2 + H2O  500 - 2500   3.06E08   -14.70   2.97E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OHCH3CH=CH2 + H2O  500 - 2500   7.07E22   -11.46   3.36E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH3CH=CH2 + H2O  500 - 2500   1.57E21   -9.13   3.26E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH3CH=CH2 + H2O  500 - 2500   3.52E11   2.12   2.55E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH(CH3)2CO + H2  500 - 2500   0.10   -12.71   2.73E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OH(CH3)2CO + H2  500 - 2500   6.94E22   -14.01   3.94E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH(CH3)2CO + H2  500 - 2500   2.13E21   -11.23   3.86E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH(CH3)2CO + H2  500 - 2500   1.65E08   4.58   2.92E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHH2O + (CH3)2C  500 - 2500   208   -15.68   3.47E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OHH2O + (CH3)2C  500 - 2500   1.99E28   -17.23   4.30E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHH2O + (CH3)2C  500 - 2500   5.82E26   -14.54   4.23E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHH2O + (CH3)2C  500 - 2500   2.15E14   0.40   3.33E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH4 + CH3CHO  500 - 2500   0.26   -13.63   2.85E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OHCH4 + CH3CHO  500 - 2500   2.92E25   -16.05   4.22E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH4 + CH3CHO  500 - 2500   1.26E24   -13.29   4.16E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OHCH4 + CH3CHO  500 - 2500   3.23E10   3.20   3.19E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH → CH3C(OH) + CH4  500 - 2500   3.78E-03   -13.36   3.20E05      2
  2002BUI/ZHU11188-11195   iso-C3H7OH → CH3C(OH) + CH4  500 - 2500   6.08E28   -18.24   4.48E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH → CH3C(OH) + CH4  500 - 2500   2.63E27   -15.53   4.41E05      1
  2002BUI/ZHU11188-11195   iso-C3H7OH → CH3C(OH) + CH4  500 - 2500   1.65E14   0.46   3.47E05      1

Search returned 24 records.