Decanoic acid, 1,2,3-propanetriyl ester

• Formula: C₃₃H₆₂O₆
• Molecular weight: 554.8418
• IUPAC Standard InChI: InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: LADGBHLMCUINGV-UHFFFAOYSA-N Copy
• CAS Registry Number: 621-71-6
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Decanoin, tri-; Capric acid triglyceride; Caprin; Glycerol tricaprate; Glycerol tricaprin; Glycerol tridecanoate; Tricapric glyceride; Tricaprin; Tridecanoin; Glyceryl tridecanoate; tri-n-Caprin; Dynasan 110; Capric triglyceride; Decanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; Glycerin tridecanoate; Glyceryl tricaprate; NSC 147475; Propane-1,2,3-triyl tris(decanoate); 2,3-Bis(decanoyloxy)propyl decanoate; 17263-37-5
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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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Constant pressure heat capacity of liquid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - 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

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

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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]

Phillips and Mattamal, 1976
Phillips, J.C.; Mattamal, M.M., Correlation of liquid heat capacities for carboxylic esters, J. Chem. Eng. Data, 1976, 21, 228-232. [all data]

Ollivon and Perron, 1982
Ollivon, M.; Perron, R., Thermochim. Acta, 1982, 53, 183-194. [all data]

Kishore, Shobha, et al., 1990
Kishore, K.; Shobha, H.K.; Mattamal, G.J., Structural effects on the vaporization of high molecular weight esters, J. Phys. Chem., 1990, 94, 4, 1642-1648, https://doi.org/10.1021/j100367a077 . [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]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Notes

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

• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Ttriple	Triple point temperature
  ΔcH°solid	Enthalpy of combustion of solid 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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