1,3-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChI: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
- IUPAC Standard InChIKey: PUPZLCDOIYMWBV-UHFFFAOYSA-N
- CAS Registry Number: 107-88-0
- 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: β-Butylene glycol; Methyltrimethylene glycol; 1-Methyl-1,3-propanediol; 1,3-Butylene glycol; 1,3-Dihydroxybutane; Butane-1,3-diol; BD; 1,3-Butandiol; 1,3-Butylenglykol; 1,3-Butanodiol; Butanediol,1,3-; (RS)-1,3-Butanediol; Butylene glycol; NSC 402145
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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 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 | -119.7 ± 0.5 | kcal/mol | Ccb | Gardner and Hussain, 1972 | ALS |
| ΔfH°liquid | -123.1 | kcal/mol | Ccb | Moureu and Dode, 1937 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -598.04 ± 0.50 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Corresponding ΔfHºliquid = -119.74 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -594.7 | kcal/mol | Ccb | Moureu and Dode, 1937 | Corresponding ΔfHºliquid = -123.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 54.30 | 303. | Kawaizumi, Otake, et al., 1972 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S.,
The standard enthalpies of formation of some aliphatic diols,
J. Chem. Thermodyn., 1972, 4, 819-827. [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]
Kawaizumi, Otake, et al., 1972
Kawaizumi, F.; Otake, T.; Nomura, H.; Miyahara, Y.,
Heat capacities of aqueous solutions of ethylene glycol, propylene glycol and 1,3-butanediol,
Nippon Kagaku. Kaishi, 1972, 1972, 1733-1776. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
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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