Behenic alcohol

• Formula: C₂₂H₄₆O
• Molecular weight: 326.6000
• IUPAC Standard InChI: InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3 Copy

  
• IUPAC Standard InChIKey: NOPFSRXAKWQILS-UHFFFAOYSA-N Copy
• CAS Registry Number: 661-19-8
• 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: 1-Docosanol; Docosyl alcohol; Docosanol-(1); Cachalot BE-22; Loxiol VPG 1451; Docosan-1-ol; Behenyl alcohol; n-Docosanol; Abreva; Docosanol; IK 2; Lanette 22; NAA 422; Nacol 22-97; NSC 8407; Stenol 1822; Stenol 1822A; Tadenan; Dehydag wax 22 (lanette); Emery 3304; N-Eicosanol
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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

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

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

IR Spectrum

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

Gas Phase Spectrum

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

Additional Data

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

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

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  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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