1-Hexanol, 2-ethyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
- IUPAC Standard InChIKey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
- CAS Registry Number: 104-76-7
- 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: 2-Ethyl-1-hexanol; 2-Ethylhexan-1-ol; 2-Ethylhexanol; Ethylhexanol; 2-Ethylhexyl alcohol; 2-Ethyl-hexanol-1; Ethylhexyl alcohol; 2-EH; Hexanol, 2-ethyl-; Hexan-1-ol, 2-ethyl; NSC 9300; 2-Ethyl-1-hexyl alcohol; Ethyl-1-hexanol,2-; Octyl alcohol (Related)
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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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -87.83 ± 0.53 | kcal/mol | N/A | Tjebbes, 1960 | Value computed using ΔfHliquid° value of -432.88±0.79 kj/mol from Tjebbes, 1960 and ΔvapH° value of 65.4±2 kj/mol from sec-alkanol correlation. |
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 | -103.46 ± 0.19 | kcal/mol | Ccb | Tjebbes, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1263.81 ± 0.19 | kcal/mol | Ccb | Tjebbes, 1960 | Corresponding ΔfHºliquid = -103.43 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 82.93 | cal/mol*K | N/A | Busygina, Maslova, et al., 1987 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 75.88 | 298.15 | Busygina, Maslova, et al., 1987 | T = 13 to 350 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
Tjebbes, 1960
Tjebbes, J.,
Heats of combustion of butannal and some related compounds,
Acta Chem. Scand., 1960, 14, 180-188. [all data]
Busygina, Maslova, et al., 1987
Busygina, G.I.; Maslova, V.A.; Shvetsova, K.G.; Babinkov, A.G.; Rabinovich, I.B.; Karyakin, N.V.,
Specific heat and thermodynamic functions of phthalic anhydride and 2-ethylhexanol at 13-350 K,
Zhur. Fiz. Khim., 1987, 61, 2347-2351. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, 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°gas Enthalpy of formation of gas 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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