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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Species with the same structure:
- 2,3-Butanedione
Information on this page:
Other data available:
- Phase change data
- UV/Visible spectrum
Options:
- Switch to calorie-based units

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, References, Notes

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

Go To: Top, Gas phase thermochemistry data, References, Notes

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References

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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.