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Accessibility information
Author(s):   Mereau, R.; Rayez, M.-T.; Caralp, F.; Rayez, J.-C.
Title:   Theoretical Study of Alkoxyl Radical Decomposition Reactions: Structure-Activity Relationships
Journal:   Phys. Chem. Chem. Phys.
Page(s):   3765 - 3772
Year:   2000
Reference type:   Journal article
Squib:   2000MER/RAY3765-3772

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
  2000MER/RAY3765-3772   CH3CH2CH2O + ·CH3  298   6.40           6.40  1
  2000MER/RAY3765-3772   CH3CH2CH2O + ·CH3  298   3.40           3.40  1
  2000MER/RAY3765-3772   CH3CH2CH2O· → CH2O + ·C2H5  298   350           350  1
  2000MER/RAY3765-3772   CH3CH2CH2O· → CH2O + ·C2H5  298   250           250  1
  2000MER/RAY3765-3772   OCH(CH3)2 → CH3CHO + ·CH3  298   180           180  1
  2000MER/RAY3765-3772   OCH(CH3)2 → CH3CHO + ·CH3  298   130           130  1
  2000MER/RAY3765-3772   CH3CH2CH2CH2O· → CH2O + 1-C3H7  298   150           150  1
  2000MER/RAY3765-3772   CH3CH2CH2CH2O· → CH2O + 1-C3H7  298   140           140  1
  2000MER/RAY3765-3772   CH3CHOCH2CH3CH3CHO + ·C2H5  298   5.00E04           5.00E04  1
  2000MER/RAY3765-3772   CH3CHOCH2CH3CH3CHO + ·C2H5  298   3.50E04           3.50E04  1
  2000MER/RAY3765-3772   CH3CHOCH2CH3C2H5CHO + ·CH3  298   33.00           33.00  1
  2000MER/RAY3765-3772   CH3CHOCH2CH3C2H5CHO + ·CH3  298   31.20           31.20  1
  2000MER/RAY3765-3772   (CH3)2CHCH2O· → CH2O + iso-C3H7  298   8.70E04           8.70E04  1
  2000MER/RAY3765-3772   (CH3)2CHCH2O· → CH2O + iso-C3H7  298   5.70E04           5.70E04  1
  2000MER/RAY3765-3772   (CH3)3CO· → Acetone + ·CH3  298   4000           4000  1
  2000MER/RAY3765-3772   (CH3)3CO· → Acetone + ·CH3  298   3000           3000  1
  2000MER/RAY3765-3772   CH3CH2C(CH3)2O(·) → Acetone + ·C2H5  298   1.30E06           1.30E06  1
  2000MER/RAY3765-3772   CH3CH2C(CH3)2O(·) → Acetone + ·C2H5  298   9.40E05           9.40E05  1
  2000MER/RAY3765-3772   CH3CH2C(CH3)2O(·) → C2H5COCH3 + ·CH3  298   1.30E04           1.30E04  1
  2000MER/RAY3765-3772   CH3CH2C(CH3)2O(·) → C2H5COCH3 + ·CH3  298   1.10E04           1.10E04  1
  2000MER/RAY3765-3772   CH3CH(O.)CH2CH2CH3CH3CH2CH2CHO + ·CH3  298   46.70           46.70  1
  2000MER/RAY3765-3772   CH3CH(O.)CH2CH2CH3CH3CH2CH2CHO + ·CH3  298   46.70           46.70  1
  2000MER/RAY3765-3772   CH3CH(O.)CH2CH2CH3CH3CHO + 1-C3H7  298   2.60E04           2.60E04  1
  2000MER/RAY3765-3772   CH3CH(O.)CH2CH2CH3CH3CHO + 1-C3H7  298   2.20E04           2.20E04  1
  2000MER/RAY3765-3772   3-pentoxy radical → C2H5CHO + ·C2H5  298   4.20E04           4.20E04  1
  2000MER/RAY3765-3772   3-pentoxy radical → C2H5CHO + ·C2H5  298   3.40E04           3.40E04  1
  2000MER/RAY3765-3772   (CH3)3CCH2O· → CH2O + iso-C4H9  298   4.80E06           4.80E06  1
  2000MER/RAY3765-3772   (CH3)3CCH2O· → CH2O + iso-C4H9  298   3.00E06           3.00E06  1

Search returned 28 records.