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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Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ 2
=
+ 2
By formula: C8H14O4 + 2H2O = C4H10O2 + 2C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -22.3 ± 2.1 | kJ/mol | Cm | Shlechter, Othmer, et al., 1945 | liquid phase; Heat of formation derived by Cox and Pilcher, 1970 |
+ 2
=
+ 2
By formula: C4H10O2 + 2C2H4O2 = C8H14O4 + 2H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.30 | kJ/mol | Eqk | Shlechter, Othmer, et al., 1945 | liquid phase; Heat of esterification at 338-453 K |
Gas phase ion energetics data
Go To: Top, Reaction 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, Reaction 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.
Shlechter, Othmer, et al., 1945
Shlechter, N.; Othmer, D.F.; Marshak, S.,
Esterification of 2,3-butylene glycol with acetic acid,
Ind. Eng. Chem., 1945, 37, 900-905. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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