Table 7.
Compound | Keto Form ∆Hf
Calc. |
Enol Form ∆Hf
Calc. |
Experiment ∆Hf
Exp |
a | Ref. |
---|---|---|---|---|---|
1-(N-Phenylformimidoyl)-2-naphthol | 70.23 | 46.53 | + | [66] | |
Acetone | −243.18 | −234.38 | −248.1 | + | [63] |
Cyclohexanone | −281.24 | −296.04 | −276.1 | − | [63] |
Cyclopentanone | −233.35 | −251.75 | −240.2 | − | [64] |
Phenol | −57.50 | −166.90 | −165.2 | + | [67] |
2-Pyridone | −120.62 | −136.32 | −166.3 | − | [68,69,70] |
4-Pyridone | −98.82 | −120.52 | −148.9 | + | [68,69,70] |
Carbostyril | −74.43 | −90.53 | −144.9 | − | [71,72,73] |
Acetylacetone | −415.25 | −429.25 | −427.6 | + | [65] |
Bis(trifluoroacetyl)methane | −1659.98 | −1676.28 | + | [65] | |
Dibenzoylmethane | −203.72 | −221.02 | + | [65] | |
1,1-Bis(benzoyl)ethane | −231.31 | −258.91 | − | [65] |
a Conformance with experimental data.