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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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -78.10 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -87.35 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | |
| ΔfH°liquid | -87.60 ± 0.20 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | |
| ΔfH°liquid | -86.4 | kcal/mol | Ccb | Springall and White, 1954 | |
| ΔfH°liquid | -80.5 | kcal/mol | Ccb | Landrieu, 1906 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -493.81 ± 0.19 | kcal/mol | Ccb | Nicholson, Szwarc, et al., 1954 | Corresponding ΔfHºliquid = -87.34 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -493.56 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Corresponding ΔfHºliquid = -87.59 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -494.8 ± 0.2 | kcal/mol | Ccb | Springall and White, 1954 | Corresponding ΔfHºliquid = -86.3 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -503.7 | kcal/mol | Ccb | Landrieu, 1906 | Corresponding ΔfHºliquid = -77.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 9.25 ± 0.22 | kcal/mol | V | Nicholson, Szwarc, et al., 1954 | |
| ΔvapH° | 8.6 | kcal/mol | E | Springall and White, 1954 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Cohen and Blout, 1953 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 10570 |
| Instrument | n.i.g. |
| Melting point | - 2.4 |
| Boiling point | 88 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Cohen and Blout, 1953
Cohen, S.G.; Blout, E.R.,
J. Polymer Sci., 1953, 3, 264. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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