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Accessibility information
Author(s):   Lei, W.; Zhang, R.
Title:   Theoretical Study of Hydroxyisoprene Alkoxy Radicals and Their Decomposition Pathways
Journal:   J. Phys. Chem. A
Volume:   105
Page(s):   3808 - 3815
Year:   2001
Reference type:   Journal article
Squib:   2001LEI/ZHA3808-3815

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
  2001LEI/ZHA3808-3815   CH2=CHC(CH3)(O·)CH2OH → CH2=CHC(O)CH2OH + ·CH3  300   2400              1
  2001LEI/ZHA3808-3815   CH2=CHC(CH3)(O·)CH2OH → CH2=CHCOCH3 + (·)CH2OH  300   4.30E07              1
  2001LEI/ZHA3808-3815   CH2=CHC(CH3)(O·)CH2OH → CH3C(O)CH2OH + C2H3  300   2.90E-03              1
  2001LEI/ZHA3808-3815   CH2=CHC(CH3)(OH)CH2O· → CH2=CHC(·)(OH)CH3 + CH2O  300   1.30E08              1
  2001LEI/ZHA3808-3815   CH2=C(CH3)CH(OH)CH2O· → CH2=C(CH3)CH(·)OH + CH2O  300   6.00E08              1
  2001LEI/ZHA3808-3815   CH2=C(CH3)CH(O·)CH2OH → Methacrolein + (·)CH2OH  300   3.10E08              1
  2001LEI/ZHA3808-3815   CH2=C(CH3)CH(O·)CH2OH → HOCH2CHO + CH2=C(·)CH3  300   0.05              1
  2001LEI/ZHA3808-3815   OHCH2C(CH3)=CHCH2O· → OHCH2C(CH3)=CH· + CH2O  300   0.01              1
  2001LEI/ZHA3808-3815   OHCH2CH=C(CH3)CH2O· → OHCH2CH=C(·)CH3 + CH2O  300   0.03              1
  2001LEI/ZHA3808-3815   CH2=CHC(O)CH2OH + ·CH3 → CH2=CHC(CH3)(O·)CH2OH  300   4.00E-22              2
  2001LEI/ZHA3808-3815   CH2=CHCOCH3 + (·)CH2OH → CH2=CHC(CH3)(O·)CH2OH  300   5.90E-20              2
  2001LEI/ZHA3808-3815   CH3C(O)CH2OH + C2H3 → CH2=CHC(CH3)(O·)CH2OH  300   2.50E-21              2
  2001LEI/ZHA3808-3815   CH2=CHC(·)(OH)CH3 + CH2O → CH2=CHC(CH3)(OH)CH2  300   6.60E-25              2
  2001LEI/ZHA3808-3815   CH2=C(CH3)CH(·)OH + CH2O → CH2=C(CH3)CH(OH)CH2  300   9.10E-23              2
  2001LEI/ZHA3808-3815   Methacrolein + (·)CH2OH → CH2=C(CH3)CH(O·)CH2OH  300   9.80E-19              2
  2001LEI/ZHA3808-3815   HOCH2CHO + CH2=C(·)CH3 → CH2=C(CH3)CH(O·)CH2OH  300   1.10E-18              2
  2001LEI/ZHA3808-3815   OHCH2C(CH3)=CH· + CH2O → OHCH2C(CH3)=CHCH2  300   1.00E-16              2
  2001LEI/ZHA3808-3815   OHCH2CH=C(·)CH3 + CH2O → OHCH2CH=C(CH3)CH2  300   3.60E-17              2

Search returned 18 records.