2,3-Butanediol, 2,3-dimethyl-
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChIKey: IVDFJHOHABJVEH-UHFFFAOYSA-N
- CAS Registry Number: 76-09-5
- 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. - Other names: Pinacol; Tetramethylethylene glycol; 2,3-Dimethyl-2,3-butanediol; meso-2,3-Dimethyl-2,3-butanediol; 2,3-Dihydroxy-2,3-dimethylbutane; 2,3-Dimethyl-2,3-dihydroxybutane
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 449. ± 20. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 316.48 | K | N/A | Priest, Woolley, et al., 1983 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 314.25 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 15.8 ± 1.0 | kcal/mol | E | Guthrie, 1977 | Hydrolysis; ALS |
ΔvapH° | 15.8 | kcal/mol | N/A | Guthrie, 1977 | DRB |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
444.7 | 0.972 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.1 | 361. | A | Stephenson and Malanowski, 1987 | Based on data from 346. to 448. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.51 | 316.2 | DSC | Priest, Woolley, et al., 1983, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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: Sharon G. Lias and Joel F. Liebman
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H7O+ | 9.60 | C3H7O | EI | Holmes, Lossing, et al., 1991 |
References
Go To: Top, Phase change 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.
Priest, Woolley, et al., 1983
Priest, J.G.; Woolley, E.M.; Ott, J.B.; Goates, J.R.,
Solid+liquid phase equilibria, excess enthalpies, and enthalpies of fusion fusion in 2,3-dimethyl-2,3-butanediol + water.,
J. Chem. Thermodyn., 1983, 15, 357-66. [all data]
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Guthrie, 1977
Guthrie, J.P.,
Cyclization of glycol monoesters to give hemiorthoesters: a test of the thermochemical method for determining free energies of tetrahedral intermediates,
Can. J. Chem., 1977, 55, 3562-3574. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Priest, Woolley, et al., 1983, 2
Priest, Jeffrey G.; Woolley, Earl M.; Ott, J. Bevan; Goates, J. Rex,
Solid + liquid phase equilibria, excess enthalpies, and enthalpies of fusion in (2,3-dimethyl-2,3-butanediol + water),
The Journal of Chemical Thermodynamics, 1983, 15, 4, 357-366, https://doi.org/10.1016/0021-9614(83)90065-4
. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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