1,6-Hexanediol
- Formula: C6H14O2
- Molecular weight: 118.1742
- IUPAC Standard InChI: InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
- IUPAC Standard InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
- CAS Registry Number: 629-11-8
- 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: α,ω-Hexanediol; Hexamethylene glycol; Hexamethylenediol; 1,6-Dihydroxyhexane; Hexanediol-(1,6); Hexane-1,6-diol; HDO
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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°solid | -139.55 ± 0.17 | kcal/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 21.6±1.0 kcal/mol; ALS |
| ΔfH°solid | -137.2 ± 1.1 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
| ΔfH°solid | -86.561 | kcal/mol | Ccb | Contineanu, Corlateanu, et al., 1980 | High level of uncertainty in the data; ALS |
| ΔfH°solid | -136.2 ± 1.2 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Hfusion=6.1±0.1; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -902.97 ± 0.14 | kcal/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 21.6±1.0 kcal/mol; Corresponding ΔfHºsolid = -139.55 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -905.3 ± 1.1 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; Corresponding ΔfHºsolid = -137.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -955.97 ± 0.56 | kcal/mol | Ccb | Contineanu, Corlateanu, et al., 1980 | High level of uncertainty in the data; Corresponding ΔfHºsolid = -86.542 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -906.3 ± 1.2 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Hfusion=6.1±0.1; Corresponding ΔfHºsolid = -136.22 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 48.49 | 298.15 | N/A | T = 268 to 413 K. C/R(c) = 0.128T - 13.72 (268 to 315 K); C/R(liq) = 0.1123T - 1.91 (315 to 413 K), R = 8.31451 J/mol*K.; 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.
Steele, Chirico, et al., 1991
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Hossenlopp, I.A.; Smith, N.K.,
DIPPR PROJECT 871: Determination of ideal-gas enthalpies of formation for key compounds: The 1989 project results,
J. Chem. Thermodyn., 1991, 101-134. [all data]
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of intra- and intermolecular bonds in ω-alkanediols. III. Thermochemical study of 1,6-hexanediol, 1,8-octanediol, 1,9-nonanediol, and 1,10-decanediol at 298.15K,
Can. J. Chem., 1990, 68, 731-734. [all data]
Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R.,
Combustion calorimetry on milligram samples of hydroscopic solid substances with a CRMT rocking bomb calorimeter thermochemical study of ω-alkanediols at 298.15 K. part II,
J. Chem. Thermodyn., 1989, 21, 779-784. [all data]
Contineanu, Corlateanu, et al., 1980
Contineanu, I.; Corlateanu, E.; Hersocovici, J.; Marchidan, D.I.,
Combustion and formation enthalpies of 1,6-hexanediol and adipic acid,
Rev. Chim. (Bucharest), 1980, 31, 763-764. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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