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Author(s):   Peeters, J.; Vereecken, L.; Fantechi, G.
Title:   The Detailed Mechanism of the OH-Initiated Atmospheric Oxidation of α -Pinene: A Theoretical Study
Journal:   Phys. Chem. Chem. Phys.
Volume:   3
Page(s):   5489 - 5504
Year:   2001
Reference type:   Journal article
Squib:   2001PEE/VER5489-5504

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
    2001PEE/VER5489-5504   cy-CH3C(O·)CH=CHCHC(CH3)2CH(cy-CH2) → cy-CH(cy-CH2)C(CH3)2CHC(O)CH=CH + ·CH3  298               0.00E00  1
    2001PEE/VER5489-5504   cy-CH3C(O·)CH=CHCHC(CH3)2CH(cy-CH2) → cy-CH(cy-CH2)C(CH3)(CH2·)CHC(CH3)(OH)CH=CH  298               0.00E00  1
    2001PEE/VER5489-5504   cy-CH3C(O·)CH=CHCHC(CH3)2CH(cy-CH2) → CH3C(O)CH=CHCH(cy-CH2CH(·)C(CH3)2)  298               0.00E00  1
    2001PEE/VER5489-5504   OCH2CH2CH2CHO → HOCH2CH2CH2CO  298               0.00E00  1
    2001PEE/VER5489-5504   CH3C(O)CH=CHCH(CH3)C(CH3)2O· → CH3C(O)CH=CHCH(·)CH3 + Acetone  298               0.00E00  1
    2001PEE/VER5489-5504   CH(O)CH2CH(cy-CH2)C(CH3)2CHC(O)CH2O· → C(·)(O)CH2CH(cy-CH2)C(CH3)2CHC(O)CH2OH  298               0.00E00  1
    2001PEE/VER5489-5504   CH(O)CH2CH(cy-CH2)C(CH3)2CHC(O)CH2O· → CH(O)CH2CH(cy-CH2)C(CH3)2CHC(O)· + CH2O  298               0.00E00  1
    2001PEE/VER5489-5504   CH(O)CH2CH(cy-CH2)C(CH3)2CHC(O)O· → C(·)(O)CH2CH(cy-CH2)C(CH3)2CHC(O)OH  298               0.00E00  1
    2001PEE/VER5489-5504   CH(O)CH2CH(cy-CH2)C(CH3)2CHC(O)O· → CH(O)CH2CH(cy-CH2)C(CH3)2CH· + CO2  298               0.00E00  1
    2001PEE/VER5489-5504   cy-CH(cy-CH2)C(CH3)(CH2·)CHC(CH3)(OH)CH=CH → CH3C(=CH2)-(cy)CHCH2CH(·)CH=CHC(CH3)OH  298               0.00E00  1
    2001PEE/VER5489-5504   CH3C(=CH2)CH2CH(CH3)O· → CH3CHO + ·CH2C(CH3)=CH2  298               0.00E00  1
    2001PEE/VER5489-5504   CH3C(=CH2)CH2CH(CH3)O· → CH2(·)C(=CH2)CH2CH(CH3)OH  298               0.00E00  1

Search returned 12 records.