Table 7.
Calculated and experimental ΔH°(c) (in kJ/mol) of Tautomeric Ketones and β-Diketones.
Compound | Keto Form ∆Hc ealc |
Enol Form ∆Hc ealc |
∆Hc exp | a | Ref. |
---|---|---|---|---|---|
1-(N-Phenylformimidoyl)-2-naphthol | −8608.3 | −8560.3 | + | [534] | |
Acetone | −1791.0 | −1798.0 | −1816.5 | + | [535] |
Cyclohexanone | −3509.3 | −3497.6 | −3517.6 | − | [535] |
Cyclopentanone | −2865.1 | −2858.1 | −2873.5 | − | [536] |
Phenol | −3149.4 | −3055.4 | −3055.5 | + | [537] |
2-Pyridone | −2557.4 | −2513.2 | −2517.62 | − | [538,539,540] |
4-Pyridone | −2573.8 | −2564.2 | −2537.5 | + | [538,539,540] |
Carbostyril | −4461.4 | −4413.7 | −4397.1 | − | [541,542,543] |
Acetylacetone | −2686.5 | −2674.5 | −2687.0 | + | [544] |
Bis(trifluoroacetyl)methane | −1640.7 | −1628.7 | −1673.7 | + | [544] |
Dibenzoylmethane | −7404.8 | −7394.1 | −7398.5 | + | [544] |
1,1-Bis(benzoyl)ethane | −8057.6 | −8036.1 | − | [544] |
a Conformance with experimental data.