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Author(s):   Kona, J.; Zahradnik, P.; Fabian, W.M.F.
Title:   Ab initio and density functional theory studies on the mechanism of nucleophilic vinylic substitution of 4H-pyran-4-one and 2-methyl-4H-pyran-4-one with ammonia
Journal:   Theor. Chem. Acct.
Volume:   109
Page(s):   176 - 181
Year:   2003
Reference type:   Journal article
Squib:   2003KON/ZAH176-181

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
    2003KON/ZAH176-181   4H-Pyran-4-one + NH3 → Products                      
Search returned 1 records.