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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Gas phase thermochemistry data
Go To: Top, Gas Chromatography, 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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -109.8 ± 0.45 | kcal/mol | Ccr | Steele, Chirico, et al., 1991 | ΔHfusion = 21.6±1.0 kcal/mol; ALS |
| ΔfH°gas | -110.4 ± 1.1 | kcal/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
| ΔfH°gas | -60.56 | kcal/mol | N/A | Contineanu, Corlateanu, et al., 1980 | Value computed using ΔfHsolid° value of -362.2 kj/mol from Contineanu, Corlateanu, et al., 1980 and ΔsubH° value of 108.8 kj/mol from Steele, Chirico, et al., 1991.; DRB |
| ΔfH°gas | -110.2 ± 1.3 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Hfusion=6.1±0.1; ALS |
Gas Chromatography
Go To: Top, Gas phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 170. | 1114.38 | Kuhn, 2001 | 30. m/0.53 mm/3. μm, He |
| Packed | Apiezon L | 160. | 1093. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | SE-30 | 175. | 1138. | Casteignau and Villessot, 1968 | Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1111. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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]
Kuhn, 2001
Kuhn, E.R.,
Selectivity vs. polarity: the fundamentals of chromatographic separation,
J. Sep. Sci., 2001, 24, 6, 473-476, https://doi.org/10.1002/1615-9314(20010601)24:6<473::AID-JSSC473>3.0.CO;2-Y
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Casteignau and Villessot, 1968
Casteignau, G.; Villessot, D.,
Identification par chromatographie en phase gaseuse de composés difonctionnels insaturés. I. Synthèse et indices de rétention,
Bull. Soc. Chim. Fr., 1968, 9, 3893-3903. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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