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Accessibility information
Author(s):   Johnson, D.; Cassanelli, P.; Cox, R.A.
Title:   Correlation-type structure activity relationships for the kinetics of the decomposition of simple and beta-substituted alkoxyl radicals
Journal:   Atmos. Environ.
Volume:   38
Page(s):   1755 - 1765
Year:   2004
Reference type:   Journal article
Squib:   2004JOH/CAS1755-1765

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
  2004JOH/CAS1755-1765   n-C3H7OCH2O + ·C2H5  190 - 330   1.00E13       5.63E04   1354  1
  2004JOH/CAS1755-1765   CH3CH2CH2CH2CH2O + 1-C3H7  190 - 330   1.00E13       5.62E04   1410  1
  2004JOH/CAS1755-1765   (CH3)2CHCH2O· → CH2O + iso-C3H7  190 - 330   1.00E13       5.08E04   1.25E04  1
  2004JOH/CAS1755-1765   n-C5H11O· → CH2O + 1-C4H9  190 - 330   1.00E13       5.56E04   1796  1
  2004JOH/CAS1755-1765   2-pentoxy radical → CH3CHO + 1-C3H7  190 - 330   1.00E13       5.14E04   9786  1
  2004JOH/CAS1755-1765   2-pentoxy radical → CH3CH2CH2CHO + ·CH3  190 - 330   1.00E13       6.11E04   195  1
  2004JOH/CAS1755-1765   3-pentoxy radical → C2H5CHO + ·C2H5  190 - 330   2.00E13       4.96E04   4.05E04  1
  2004JOH/CAS1755-1765   C2H5C(CH3)2O(·) → Acetone + ·C2H5  190 - 330   1.00E13       4.77E04   4.36E04  1
  2004JOH/CAS1755-1765   CH3CH2CH(CH3)CH2O· → CH2O + sec-C4H9  190 - 330   1.00E13       5.05E04   1.41E04  1
  2004JOH/CAS1755-1765   CH3CH(CH3)CH2CH2O(·) → CH2O + iso-C4H9  190 - 330   1.00E13       5.52E04   2111  1
  2004JOH/CAS1755-1765   (CH3)2CHCH(CH3)O → CH3CHO + iso-C3H7  190 - 330   1.00E13       4.61E04   8.31E04  1
  2004JOH/CAS1755-1765   1-hexoxy radical → CH2O + 1-C5H11  190 - 330   1.00E13       5.47E04   2583  1
  2004JOH/CAS1755-1765   CH3CH(O·)CH2CH2CH2CH3CH3CHO + 1-C4H9  190 - 330   1.00E13       5.08E04   1.25E04  1
  2004JOH/CAS1755-1765   CH3CH(O·)CH2CH2CH2CH3n-C4H9CHO + ·CH3  190 - 330   1.00E13       6.05E04   249  1
  2004JOH/CAS1755-1765   CH3CH2CH(O·)CH2CH2CH3n-C4H9CHO + ·C2H5  190 - 330   1.00E13       4.80E04   3.86E04  1
  2004JOH/CAS1755-1765   CH3CH2CH(O·)CH2CH2CH3C2H5CHO + 1-C3H7  190 - 330   1.00E13       4.94E04   2.19E04  1
  2004JOH/CAS1755-1765   CH3C(O)CH(O·)CH3CH3CHO + CH3CO  190 - 330   1.00E13       2.39E04   6.47E08  1
  2004JOH/CAS1755-1765   CH3CH(O)CH(O·)CH2CH3C2H5CHO + CH3CO  190 - 330   1.00E13       2.07E04   2.35E09  1
  2004JOH/CAS1755-1765   C2H5C(O)CH(O·)CH3CH3CHO + CH3CH2CO  190 - 330   1.00E13       1.92E04   4.31E09  1
  2004JOH/CAS1755-1765   CH3C(O)C(O·)C(CH3)CH3Acetone + CH3CO  190 - 330   1.00E13       1.79E04   7.29E09  1
  2004JOH/CAS1755-1765   CH3C(O)CH(O·)C3H7CH3CH2CH2CHO + CH3CO  190 - 330   1.00E13       1.91E04   4.49E09  1
  2004JOH/CAS1755-1765   CH3CH2C(O)CH(O·)C2H5C2H5CHO + CH3CH2CO  190 - 330   1.00E13       1.65E04   1.28E10  1

Search returned 22 records.