2,3-Butanedione

Formula: C₄H₆O₂
Molecular weight: 86.0892
IUPAC Standard InChI: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
IUPAC Standard InChIKey: QSJXEFYPDANLFS-UHFFFAOYSA-N
CAS Registry Number: 625-34-3
Chemical structure:
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Species with the same structure:
- 2,3-Butanedione
Information on this page:
Other data available:
- Phase change data
- UV/Visible spectrum
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Gas phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-326.8	kJ/mol	Ccb	Nicholson, Szwarc, et al., 1954

Condensed phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-365.5	kJ/mol	Ccb	Nicholson, Szwarc, et al., 1954
Δ_fH°_liquid	-366.5 ± 0.84	kJ/mol	Ccb	Parks, Manchester, et al., 1954
Δ_fH°_liquid	-361.	kJ/mol	Ccb	Springall and White, 1954
Δ_fH°_liquid	-337.	kJ/mol	Ccb	Landrieu, 1906
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2066.1 ± 0.79	kJ/mol	Ccb	Nicholson, Szwarc, et al., 1954	Corresponding Δ_fHº_liquid = -365.4 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δ_cH°_liquid	-2065.1	kJ/mol	Ccb	Parks, Manchester, et al., 1954	Corresponding Δ_fHº_liquid = -366.5 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δ_cH°_liquid	-2070. ± 0.8	kJ/mol	Ccb	Springall and White, 1954	Corresponding Δ_fHº_liquid = -361. kJ/mol (simple calculation by NIST; no Washburn corrections)
Δ_cH°_liquid	-2107.	kJ/mol	Ccb	Landrieu, 1906	Corresponding Δ_fHº_liquid = -324. kJ/mol (simple calculation by NIST; no Washburn corrections)

References

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Nicholson, Szwarc, et al., 1954
Nicholson, G.R.; Szwarc, M.; Taylor, J.W., The heats of formation of diacetyl and of benzyl methyl ketone in the vapour phase, J. Chem. Soc., 1954, 2767-2769. [all data]

Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M., Heats of combustion and formation of some alcohols, phenols, and ketones, J. Chem. Phys., 1954, 22, 2089-2090. [all data]

Springall and White, 1954
Springall, H.D.; White, T.R., Heats of combustion and molecular structure. Part II. The mean bond energy term for the carbonyl system in certain ketones, J. Chem. Soc., 1954, 2765-27. [all data]

Landrieu, 1906
Landrieu, M.Ph., Thermochimie des hydrazones et des osazones, des dicetones-α et des sucres reducteurs, Compt. Rend., 1906, 140, 580-582. [all data]

Notes

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Symbols used in this document:

Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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