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Accessibility information
Author(s):   Pokidova, T.S.; Denisov, E.T.; Shestakov, A.F.
Title:   Kinetic parameters and geometry of the transition state in the unimolecular degradation of alcohols
Journal:   Petrol. Chem.
Volume:   49
Page(s):   343 - 353
Year:   2009
Reference type:   Journal article
Squib:   2009POK/DEN343-353

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
  2009POK/DEN343-353   C2H5OHC2H4 + H2O  800   3.92E13   0.50   2.57E05      1
  2009POK/DEN343-353   iso-C3H7OHCH3CH=CH2 + H2O  800   3.90E13   0.50   2.59E05      1
  2009POK/DEN343-353   n-C3H7OHCH3CH=CH2 + H2O  800   3.95E13   0.50   2.51E05      1
  2009POK/DEN343-353   iso-C4H9OHiso-C4H8 + H2O  800   3.99E13   0.50   2.48E05      1
  2009POK/DEN343-353   sec-C4H9OHCH3CH=CHCH3 + H2O  800   3.94E13   0.50   2.55E05      1
  2009POK/DEN343-353   sec-C4H9OH1-C4H8 + H2O  800   3.90E13   0.50   2.60E05      1
  2009POK/DEN343-353   (CH3)2CHCH(OH)CH3(CH3)2C=CHCH3 + H2O  800   3.97E13   0.50   2.51E05      1
  2009POK/DEN343-353   (CH3)2CHCH(OH)CH3(CH3)2CHCH=CH2 + H2O  800   3.92E13   0.50   2.57E05      1
  2009POK/DEN343-353   (CH3)3CCH(CH3)OH(CH3)3CCH=CH2 + H2O  800   3.90E13   0.50   2.58E05      1
  2009POK/DEN343-353   n-C3H7CH(OH)CH3CH3CH=CHC2H5 + H2O  800   3.94E13   0.50   2.55E05      1
  2009POK/DEN343-353   n-C3H7CH(OH)CH31-C5H10 + H2O  800   3.90E13   0.50   2.59E05      1
  2009POK/DEN343-353   tert-C4H9OHiso-C4H8 + H2O  800   3.76E13   0.50   2.77E05      1
  2009POK/DEN343-353   (CH3)2CHC(OH)(CH3)2(CH3)2C=C(CH3)2 + H2O  800   3.80E13   0.50   2.74E05      1
  2009POK/DEN343-353   (CH3)2CHC(OH)(CH3)2(CH3)2CHC(CH3)=CH2 + H2O  800   3.78E13   0.50   2.77E05      1
  2009POK/DEN343-353   CH2=CHCH2CH2OHCH2O + CH3CH=CH2  650   2.71E11   0.50   1.69E05      1
  2009POK/DEN343-353   CH2=C(CH3)CH2CH2OHCH2O + iso-C4H8  650   2.71E11   0.50   1.68E05      1
  2009POK/DEN343-353   CH3CH=CHCH2CH2OHCH2O + 1-C4H8  650   2.66E11   0.50   1.75E05      1
  2009POK/DEN343-353   (CH3)2CCHCH2CH2OHCH2O + (CH3)2CHCH=CH2  650   2.62E11   0.50   1.80E05      1
  2009POK/DEN343-353   (CH3)2C=C(CH3)CH2CH2OH → CH2O + (CH3)2CHC(CH3)=CH2  650   2.71E11   0.50   1.69E05      1
  2009POK/DEN343-353   CH2=CHCH2CH(OH)CH3CH3CHO + CH3CH=CH2  650   2.71E11   0.50   1.69E05      1
  2009POK/DEN343-353   CH2=CHCH(CH3)CH(OH)CH3CH3CHO + CH3CH=CHCH3  650   2.73E11   0.50   1.67E05      1
  2009POK/DEN343-353   CH3CH=CHCH2CH(OH)CH3CH3CHO + 1-C4H8  650   2.64E11   0.50   1.77E05      1
  2009POK/DEN343-353   (CH3)2C=CHCH2CH(OH)CH3CH3CHO + (CH3)2CHCH=CH2  650   2.64E11   0.50   1.78E05      1
  2009POK/DEN343-353   (CH3)2C=C(CH3)CH2CH(CH3)OH → CH3CHO + (CH3)2CHC(CH3)=CH2  650   2.68E11   0.50   1.72E05      1
  2009POK/DEN343-353   (CH3)CH=CHCH(CH3)CH(CH3)OH → CH3CHO + CH3CH=CHC2H5  650   2.76E11   0.50   1.62E05      1
  2009POK/DEN343-353   CH2=CHCH2C(CH3)2OHAcetone + CH3CH=CH2  650   2.78E11   0.50   1.60E05      1
  2009POK/DEN343-353   CH2=C(CH3)CH2C(CH3)2OH → Acetone + iso-C4H8  650   2.78E11   0.50   1.60E05      1
  2009POK/DEN343-353   CH3CH=CHCH2C(CH3)2OH → Acetone + 1-C4H8  650   2.68E11   0.50   1.73E05      1
  2009POK/DEN343-353   CH2=C(C6H5)CH2CH2OH → CH2O + 2-Phenylpropene  650   2.81E11   0.50   1.57E05      1
  2009POK/DEN343-353   (C6H5)CH=CHCH2CH2OH → CH2O + 3-Phenylpropene  650   2.61E11   0.50   1.82E05      1
  2009POK/DEN343-353   CH2=CHCH2CH2OH1,3-Butadiene + H2O  650   4.02E13   0.50   2.44E05      1
  2009POK/DEN343-353   CH2=C(CH3)CH2CH2OHCH2=C(CH3)CH=CH2 + H2O  650   4.02E13   0.50   2.44E05      1
  2009POK/DEN343-353   CH2=CHCH2CH(OH)CH3CH2=CHCH=CHCH3 + H2O  650   4.00E13   0.50   2.46E05      1
  2009POK/DEN343-353   CH2=CHCH2CH(OH)CH3CH2=CHCH2CH=CH2 + H2O  650   3.90E13   0.50   2.59E05      1
  2009POK/DEN343-353   CH2=C(C6H5)CH2CH2OH → 2-Phenyl-1,3-butadiene + H2O  650   4.00E13   0.50   2.45E05      1
  2009POK/DEN343-353   (C6H5)CH=CHCH2CH2OH → H2O + 1-Phenyl-1,3-butadiene(E)  650   4.02E13   0.50   2.44E05      1
  2009POK/DEN343-353   CH2=CHCH2C(CH3)2OH(CH3)2C=CHCH=CH2 + H2O  650   3.87E13   0.50   2.65E05      1
  2009POK/DEN343-353   CH2=CHCH2C(CH3)2OHCH2=C(CH3)CH2CH=CH2 + H2O  650   3.76E13   0.50   2.78E05      1
  2009POK/DEN343-353   CH2O + CH3CH=CH2CH2=CHCH2CH2OH  650   4.82E-24              2
  2009POK/DEN343-353   CH2O + iso-C4H8CH3CH=CHCH2CH2OH  650   8.30E-24              2
  2009POK/DEN343-353   CH2O + 1-C4H8CH3CH=CHCH2CH2OH  650   6.64E-24              2
  2009POK/DEN343-353   CH2O + (CH3)2CHCH=CH2(CH3)2CCHCH2CH2OH  650   6.64E-24              2
  2009POK/DEN343-353   CH2O + (CH3)2CHC(CH3)=CH2 → (CH3)2C=C(CH3)CH2CH2OH  650   1.59E-24              2
  2009POK/DEN343-353   CH3CHO + CH3CH=CH2CH2=CHCH2CH(OH)CH3  650   1.20E-25              2
  2009POK/DEN343-353   CH3CHO + CH3CH=CHCH3 → CH2=CHCH(CH3)CH(OH)CH3  650   9.13E-26              2
  2009POK/DEN343-353   CH3CHO + 1-C4H8 → CH3CH=CHCH2CH(OH)CH3  650   2.16E-25              2
  2009POK/DEN343-353   CH3CHO + (CH3)2CHCH=CH2 → (CH3)2C=CHCH2CH(OH)CH3  650   2.66E-25              2
  2009POK/DEN343-353   CH3CHO + (CH3)2CHC(CH3)=CH2 → (CH3)2C=C(CH3)CH2CH(CH3)OH  650   5.81E-26              2
  2009POK/DEN343-353   CH3CHO + CH3CH=CHC2H5 → (CH3)CH=CHCH(CH3)CH(CH3)OH  650   1.99E-25              2
  2009POK/DEN343-353   Acetone + CH3CH=CH2CH2=CHCH2C(CH3)2OH  650   4.48E-26              2
  2009POK/DEN343-353   Acetone + 1-C4H8 → CH3CH=CHCH2C(CH3)2OH  650   1.31E-24              2
  2009POK/DEN343-353   Acetone + iso-C4H8 → CH2=C(CH3)CH2C(CH3)2OH  650   3.82E-26              2

Search returned 52 records.