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. 2021 Oct 10;26(20):6101. doi: 10.3390/molecules26206101

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.