Behenic alcohol

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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
Δcliquid-3453. ± 3.kcal/molCcbFreeman and Bagby, 1989Corresponding Δfliquid = -187. 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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tfus343.KN/AKuchhal, Shukla, et al., 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 0.25 K; TRC
Tfus342.4KN/ADavies and Kybett, 1965Uncertainty assigned by TRC = 0.6 K; TRC
Tfus343.2KN/AShulman, Formo, et al., 1961Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δvap32.5 ± 0.2kcal/molCGCNichols, Kweskin, et al., 2006AC
Quantity Value Units Method Reference Comment
Δsub49.4 ± 2.4kcal/molVDavies and Kybett, 1965ALS
Δsub57.0 ± 2.4kcal/molN/ADavies and Kybett, 1965AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
453.20.0003Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
27.56351.A,MEStephenson and Malanowski, 1987Based on data from 344. to 459. K. See also Davies and Kybett, 1965.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
49.4 ± 2.4330.MEDavies and Kybett, 1965Based on data from 335. to 341. K. See also Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
20.33340.8ACTong, Tan, et al., 2008Based on data from 80. to 400. K.; AC
20.57343.9N/Avan Miltenburg, Oonk, et al., 2001AC
11.13345.2N/AKuchhal, Shukla, et al., 1979AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.12333.9Kuchhal, Shukla, et al., 1979, 2CAL
32.24345.2

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, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, 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

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Mass 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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-6052
NIST MS number 233032

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, 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.

Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O., Heats of combustion of fatty esters and triglycerides, J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]

Kuchhal, Shukla, et al., 1979
Kuchhal, Y.K.; Shukla, R.N.; Biswas, A.B., Differential thermal analysis of n-long chain alcohols and corresponding alkoxy ethanols, Thermochimica Acta, 1979, 31, 1, 61-70, https://doi.org/10.1016/0040-6031(79)80008-8 . [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [all data]

Shulman, Formo, et al., 1961
Shulman, S.; Formo, M.W.; Rheineck, A.E., Aliphatic Urethanes. Effect of Chain Length on Some Physical Properties, J. Am. Oil Chem. SOc., 1961, 38, 205-8. [all data]

Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James, Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography, J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857 . [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]

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]

Tong, Tan, et al., 2008
Tong, Bo; Tan, Zhi-Cheng; Wang, Shao-Xu, Thermodynamic Properties of 1-Docosanol, Acta Phys. Chim. Sin., 2008, 24, 9, 1699-1702, https://doi.org/10.3866/PKU.WHXB20080930 . [all data]

van Miltenburg, Oonk, et al., 2001
van Miltenburg, J. Cees; Oonk, Harry A.J.; Ventola, Lourdes, Heat Capacities and Derived Thermodynamic Functions of 1-Octadecanol, 1-Nonadecanol, 1-Eicosanol, and 1-Docosanol between 10 K and 370 K, J. Chem. Eng. Data, 2001, 46, 1, 90-97, https://doi.org/10.1021/je000048s . [all data]

Kuchhal, Shukla, et al., 1979, 2
Kuchhal, Y.K.; Shukla, R.N.; Biswas, A.B., Differential thermal analysis of n-long chain alcohols and corresponding alkoxy ethanols, Thermochim. Acta, 1979, 31, 1, 61, https://doi.org/10.1016/0040-6031(79)80008-8 . [all data]


Notes

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