2,3-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
- IUPAC Standard InChIKey: OWBTYPJTUOEWEK-UHFFFAOYSA-N
- CAS Registry Number: 513-85-9
- 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:
- Stereoisomers:
- Other names: Butane-2,3-diol; Dimethylethylene glycol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; D-2,3-Butane diol; 2,3-Butandiol; 2,3-Butanediol, isomer 1; 2,3-butanodiol; 2.3-Butanediol, isomer 3; 2,3-Butanediol, isomer 2
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -544.8 | kJ/mol | Ccb | Baroody and Carpenter, 1972 | ALS |
| ΔfH°liquid | -541.8 | kJ/mol | Ccb | Moureu and Dode, 1937 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2461. | kJ/mol | Ccb | Moureu and Dode, 1937 | Corresponding ΔfHºliquid = -541.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 213.0 | 298.2 | Khokhlovkin and Kalacheva, 1936 | T = 26 to 140°C.; DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H4O+ | 10.26 | C2H4O | EI | Holmes, Lossing, et al., 1991 | LL |
| C2H5O+ | 10.26 ± 0.05 | CH3CHOH | EI | Holmes and Lossing, 1984 | LBLHLM |
| C2H7O+ | 10.00 ± 0.05 | C2H3O | EI | Sirois, George, et al., 1994 | LL |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Moureu and Dode, 1937
Moureu, H.; Dode, M.,
Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues,
Bull. Soc. Chim. France, 1937, 4, 637-647. [all data]
Khokhlovkin and Kalacheva, 1936
Khokhlovkin, M.A.; Kalacheva, A.V.,
The specific heat of 2,3-butanediol,
Sintet. Kauchuk 5, 1936, No.1, 25-27. [all data]
Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M.,
Heats of formation of oxygen-containing organic free radicals from appearance energy measurements,
J. Am. Chem. Soc., 1991, 113, 9723. [all data]
Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P.,
Heats of formation of organic radicals from appearance energies,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]
Sirois, George, et al., 1994
Sirois, M.; George, M.; Holmes, J.L.,
Neutral counterparts of the C2H7O+ isomers,
Org. Mass Spectrom., 1994, 29, 11. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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