13-Docosenoic acid, methyl ester, (Z)-

• Formula: C₂₃H₄₄O₂
• Molecular weight: 352.5943
• IUPAC Standard InChI: InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10- Copy

  
• IUPAC Standard InChIKey: ZYNDJIBBPLNPOW-KHPPLWFESA-N Copy
• CAS Registry Number: 1120-34-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 13-Docosenoic acid, methyl ester
• Other names: Methyl (Z)-13-docosenoate; Methyl erucate; Methyl 13-docosenoate-, cis-; Methyl cis-13-docosenoate; Erucic acid methyl ester; cis-13-Docosenoic acid, methyl ester; methyl (Z)-docos-13-enoate
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]

Lipkind, Kapustin, et al., 2007
Lipkind, Dmitry; Kapustin, Yaroslav; Umnahanant, Patamaporn; Chickos, James S., The vaporization enthalpies and vapor pressures of a series of unsaturated fatty acid methyl esters by correlation gas chromatography, Thermochimica Acta, 2007, 456, 2, 94-101, https://doi.org/10.1016/j.tca.2007.02.008 . [all data]

Krop, Velzen, et al., 1997
Krop, Hildo B.; Velzen, Martin J.M.v.; Parsons, John R.; Govers, Harrie A.J., Determination of environmentally relevant physical-chemical properties of some fatty acid esters, J Amer Oil Chem Soc, 1997, 74, 3, 309-315, https://doi.org/10.1007/s11746-997-0142-9 . [all data]

Husain, Sarma, et al., 1993
Husain, Sajid; Sarma, P. Nageswara; Swamy, G.Y.S.K.; Devi, K. Sita, Determination of physicochemical properties of some fatty acid methyl esters by gas liquid chromatography, J Am Oil Chem Soc, 1993, 70, 2, 149-155, https://doi.org/10.1007/BF02542618 . [all data]

Kittiratanapiboon, Jeyashoke, et al., 1998
Kittiratanapiboon, K.; Jeyashoke, N.; Krisnangkura, K., The relationship of Kováts retention indices and equivalent chain lengths of fatty acid methyl esters on a methyl silicone capillary column, J. Chromatogr. Sci., 1998, 36, 7, 361-364, https://doi.org/10.1093/chromsci/36.7.361 . [all data]

Hanai and Hong, 1989
Hanai, T.; Hong, C., Structure-retention correlation in CGC, J. Hi. Res. Chromatogr., 1989, 12, 5, 327-332, https://doi.org/10.1002/jhrc.1240120517 . [all data]

Golovnya, Uralets, et al., 1976
Golovnya, R.V.; Uralets, V.P.; Kuzmenko, T.E., Characterization of fatty acid methyl esters by gas chromatography on siloxane liquid phases, J. Chromatogr., 1976, 121, 1, 118-121, https://doi.org/10.1016/S0021-9673(00)82312-2 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Filho and Lancas, 1995
Filho, N.R.A.; Lancas, F.M., Identification of FAMEs using ECL values and a three-dimensional Kovats retention index system, J. High Resol. Chromatogr., 1995, 18, 3, 167-170, https://doi.org/10.1002/jhrc.1240180306 . [all data]

Krop, 2003
Krop, H.B., Thermodynamic approaches for the environmental chemistry of organic pollutants (Dissertation), 2003. [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid 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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