1,8-Octanediol
- Formula: C8H18O2
- Molecular weight: 146.2273
- IUPAC Standard InChI: InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
- IUPAC Standard InChIKey: OEIJHBUUFURJLI-UHFFFAOYSA-N
- CAS Registry Number: 629-41-4
- 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: Octamethylene glycol; Octan-1,8-diol; octane-1,8-diol
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -116.5 ± 1.2 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -149.8 ± 1.1 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1217.5 ± 1.1 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; Corresponding ΔfHºsolid = -149.8 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 332.7 | K | N/A | Knauth and Sabbah, 1990, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 25.57 ± 0.53 | kcal/mol | N/A | Piacente, Ferro, et al., 1993 | See also Umnahanant, Kweskin, et al., 2006.; AC |
| ΔvapH° | 25.19 ± 0.43 | kcal/mol | N/A | Knauth and Sabbah, 1990 | See also Umnahanant, Kweskin, et al., 2006.; AC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 33.3 ± 0.2 | kcal/mol | C | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
| ΔsubH° | 33.29 | kcal/mol | N/A | Knauth and Sabbah, 1990 | DRB |
| ΔsubH° | 33.3 ± 0.2 | kcal/mol | C | Knauth and Sabbah, 1990 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 445.2 | 0.026 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 24.1 | 356. | Piacente, Ferro, et al., 1993 | See also Umnahanant, Kweskin, et al., 2006.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.63 | 332.8 | Acree, 1991 | AC |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1313. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2366. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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. 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]
Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R.,
Can. J. Chem., 1990, 68, 731. [all data]
Piacente, Ferro, et al., 1993
Piacente, V.; Ferro, D.; Gatta, G.D.,
Vaporization enthalpies of a series of α,φ-alkanediols from vapour pressure measurements,
Thermochim. Acta, 1993, 223, 65-73. [all data]
Umnahanant, Kweskin, et al., 2006
Umnahanant, Pataporn; Kweskin, Shasha; Nichols, Gary; Dunn, Matthew J.; Smart-Ebinne, Hareta; Chickos, James S.,
Vaporization Enthalpies of the α,ω-Alkanediols by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2006, 51, 6, 2246-2254, https://doi.org/10.1021/je060333x
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions 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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