Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

1-Hexanol, 2-ethyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-367.5 ± 2.2kJ/molN/ATjebbes, 1960Value computed using «DELTA»fHliquid° value of -432.88±0.79 kj/mol from Tjebbes, 1960 and «DELTA»vapH° value of 65.4±2 kj/mol from sec-alkanol correlation.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
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
Deltafliquid-432.88 ± 0.79kJ/molCcbTjebbes, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5287.78 ± 0.79kJ/molCcbTjebbes, 1960Corresponding «DELTA»fliquid = -432.75 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid347.0J/mol*KN/ABusygina, Maslova, et al., 1987DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
317.5298.15Busygina, Maslova, et al., 1987T = 13 to 350 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
Tboil456. ± 3.KAVGN/AAverage of 22 out of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tc641. ± 1.KN/AGude and Teja, 1995 
Tc641.KN/AAmbrose and Ghiassee, 1990Uncertainty assigned by TRC = 2. K; TRC
Tc640.2KN/ALawrenson and Lee, 1978Uncertainty assigned by TRC = 0.3 K; Visual, decomp.; TRC
Quantity Value Units Method Reference Comment
Pc28. ± 1.barN/AGude and Teja, 1995 
Pc28.00barN/AAmbrose and Ghiassee, 1990Uncertainty assigned by TRC = 2.00 bar; Calculated from vaper pressure equation at Tc; TRC
Quantity Value Units Method Reference Comment
Deltavap68.5 ± 0.2kJ/molGSRoganov, Pisarev, et al., 2005Based on data from 293. - 331. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
60.2362.AStephenson and Malanowski, 1987Based on data from 347. - 457. K. See also Dykvy, Seprakova, et al., 1961.; AC
52.7388.N/ALinek and Wichterle, 1973Based on data from 373. - 398. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
347.22 - 456.704.013891325.949-126.68Dykyj, Seprakova, et al., 1961Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

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]

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References