1-Hexanol, 2-ethyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- 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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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 456. ± 4. | K | AVG | N/A | Average of 22 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 641. ± 1. | K | N/A | Gude and Teja, 1995 | |
Tc | 641. | K | N/A | Ambrose and Ghiassee, 1990 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 640.2 | K | N/A | Lawrenson and Lee, 1978 | Uncertainty assigned by TRC = 0.3 K; Visual, decomp.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 28. ± 1. | bar | N/A | Gude and Teja, 1995 | |
Pc | 28.00 | bar | N/A | Ambrose and Ghiassee, 1990 | Uncertainty assigned by TRC = 2.00 bar; Calculated from vaper pressure equation at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 68.5 ± 0.2 | kJ/mol | GS | Roganov, Pisarev, et al., 2005 | Based on data from 293. to 331. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
60.2 | 362. | A | Stephenson and Malanowski, 1987 | Based on data from 347. to 457. K. See also Dykvy, Seprakova, et al., 1961.; AC |
52.7 | 388. | N/A | Linek and Wichterle, 1973 | Based on data from 373. to 398. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
347.22 to 456.70 | 4.01389 | 1325.949 | -126.68 | Dykyj, Seprakova, et al., 1961 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, 10% IN CCl4 FOR 650-240 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 2838 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gude and Teja, 1995
Gude, M.; Teja, A.S.,
Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols,
J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]
Ambrose and Ghiassee, 1990
Ambrose, D.; Ghiassee, N.B.,
Vapor pressures, critical temperatures, and critical pressures of benzyl alcohol, octan-2-ol, and 2-ethylhexan-1-ol,
J. Chem. Thermodyn., 1990, 22, 307-11. [all data]
Lawrenson and Lee, 1978
Lawrenson, I.J.; Lee, D.A.,
Thermodynamic properties of organic oxygen compounds XLVIII. The critical temperature of some alkanols,
J. Chem. Thermodyn., 1978, 10, 1111. [all data]
Roganov, Pisarev, et al., 2005
Roganov, Gennady N.; Pisarev, Pavel N.; Emel'yanenko, Vladimir N.; Verevkin, Sergey P.,
Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols,
J. Chem. Eng. Data, 2005, 50, 4, 1114-1124, https://doi.org/10.1021/je049561m
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykvy, Seprakova, et al., 1961
Dykvy, J.; Seprakova, M.; Paulech, J.,
Chem. Zvesti, 1961, 15, 465. [all data]
Linek and Wichterle, 1973
Linek, J.; Wichterle, I.,
Liquid-vapour equilibrium. LIX. The systems diisopropyl ether-acrylic acid, isopropyl acetate-acrylic acid, acrylic acid-2-ethylhexanol and methyl isobutyl ketone-acrylic acid,
Collect. Czech. Chem. Commun., 1973, 38, 7, 1846-1852, https://doi.org/10.1135/cccc19731846
. [all data]
Dykyj, Seprakova, et al., 1961
Dykyj, J.; Seprakova, M.; Paulech, J.,
Vapor Pressure of Two Alcohols C8 and Two Aldehydes C8,
Chem. Zvesti, 1961, 465-468. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature 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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