1,4-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChI: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
- IUPAC Standard InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
- CAS Registry Number: 110-63-4
- 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: Diol 14B; Sucol B; Tetramethylene glycol; 1,4-Butylene glycol; 1,4-Dihydroxybutane; 1,4-Tetramethylene glycol; Butane-1,4-diol; Butanediol; 1,4-BD; Tetramethylene 1,4-diol; BDO; Butylene glycol; Dabco BDO; Butane diol-1,4; NSC 406696
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Condensed phase thermochemistry data
Go To: Top, 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 | -505.3 ± 5.7 | kJ/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
| ΔfH°liquid | -503. ± 2. | kJ/mol | Ccb | Gardner and Hussain, 1972 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2495.5 ± 5.7 | kJ/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; Corresponding ΔfHºliquid = -507.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2499.9 ± 2.0 | kJ/mol | Ccb | Gardner and Hussain, 1972 | Corresponding ΔfHºliquid = -503.25 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 223.4 | J/mol*K | N/A | Nistratov, Babinkov, et al., 1979 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 200.1 | 298.15 | Nistratov, Babinkov, et al., 1979 | T = 5 to 320 K.; DH |
| 178. | 297.79 | Petit and TerMinassian, 1974 | T = 297 to 470 K. Value is unsmoothed experimental datum.; 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.
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of intra- and intermolecular bonds in ω-alkanediols (II) Thermochemical study of 1,2-ethanediol, 1,3-propanediol, 1,4-butanediol, and 1,5-pentanediol at 298.15K,
Struct. Chem., 1990, 1, 43-46. [all data]
Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R.,
Combustion calorimetry on milligram samples of liquid substances with a CRMT rocking bomb calorimeter. Application to the study of ω-alkanediol at 298.15 K,
J. Chem. Thermodyn., 1989, 21, 203-210. [all data]
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]
Nistratov, Babinkov, et al., 1979
Nistratov, V.P.; Babinkov, A.G.; Shvetsova, K.G.; Lapteva, S.A.,
Heat capacity and termodynamic functions of tetramethyleneglycol,
Termodin. Org. Soedin., 1979, (8), 33-36. [all data]
Petit and TerMinassian, 1974
Petit, J.C.; TerMinassian, L.,
Measurements of (dV/dT)p, (dV/dP)T, and (dH/dT)p by flux calorimetry,
J. Chem. Thermodynam., 1974, 6, 1139-1152. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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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