Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty

More...


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Alvarez-Idaboy, J.R.; Cruz-Torres, A.; Galano, A.; Ruiz-Santoyo, M.E.
Title:   Structure-reactivity relationship in ketones plus OH reactions: A quantum mechanical and TST approach
Journal:   J. Phys. Chem. A
Volume:   108
Page(s):   2740 - 2749
Year:   2004
Reference type:   Journal article
Squib:   2004ALV/CRU2740-2749

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
  2004ALV/CRU2740-2749   (CH3)2CO + ·OHCH3C(O)CH2(·) + H2O  280 - 440   5.18E-12       8201   1.89E-13  2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OH → Products + H2O  280 - 440   1.02E-12       -2008   2.29E-12  2
  2004ALV/CRU2740-2749   iso-C3H7C(O)CH3 + ·OH → Products + H2O  280 - 440   8.75E-12       3347   2.27E-12  2
  2004ALV/CRU2740-2749   iso-C3H7C(O)CH3 + ·OH → Products + H2O  298   2.30E-12           2.30E-12  2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OH → Products + H2O  298   2.38E-12           2.38E-12  2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OH → CH3CH2CH2C(O)CH2(·) + H2O  298   0.05           0.05  2
  Reference reaction:  n-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OH → CH3CH2CH(·)C(O)CH3 + H2O  298   0.07           0.07  2
  Reference reaction:  n-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OH → CH3CH(·)CH2C(O)CH3 + H2O  298   0.82           0.82  2
  Reference reaction:  n-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   n-C3H7C(O)CH3 + ·OHH2O + CH3C(O)CH2CH2CH2(·)  298   0.06           0.06  2
  Reference reaction:  n-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   iso-C3H7C(O)CH3 + ·OH → (CH3)2CHC(O)CH2(·) + H2O  298   0.17           0.17  2
  Reference reaction:  iso-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   iso-C3H7C(O)CH3 + ·OH → (CH3)2C(·)C(O)CH3 + H2O  298   0.28           0.28  2
  Reference reaction:  iso-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   iso-C3H7C(O)CH3 + ·OH → CH3C(O)CH(CH3)CH2(·) + H2O  298   0.55           0.55  2
  Reference reaction:  iso-C3H7C(O)CH3 + ·OH → Products + H2O 2
  2004ALV/CRU2740-2749   (CH3)2CO + ·OHCH3C(O)CH2(·) + H2O  298   1.92E-13           1.92E-13  2

Search returned 13 records.