Dodecanoic acid, 1,2,3-propanetriyl ester

• Formula: C₃₉H₇₄O₆
• Molecular weight: 639.0013
• IUPAC Standard InChI: InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: VMPHSYLJUKZBJJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 538-24-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Laurin, tri-; Glycerol trilaurate; Glyceryl tridodecanoate; Glyceryl trilaurate; Lauric acid triglyceride; Lauric acid triglycerin ester; Trilaurin; Glycerin trilaurate; Dynasan 112; Trilauroylglycerol; Dodecanoic acid, tri-ester with glycerol; Dodecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; NSC 4061; Tridodecanoyl glycerol
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Enthalpy of phase transition

Entropy of phase transition

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

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

Charbonnet and Singleton, 1947
Charbonnet, G.H.; Singleton, W.S., Thermal properties of fats and oils. VI. Heat capacity, heats of fusion, J. Am. Oil Chem. Soc., 1947, 24, 140. [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]

Perry, Weber, et al., 1949
Perry, E.S.; Weber, W.H.; Daubert, B.F., Vapor Pressures of Phlegmatic Liquids. I. Simple and Mixed Triglycerides, J. Am. Chem. Soc., 1949, 71, 11, 3720-3726, https://doi.org/10.1021/ja01179a038 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Charbonnet and Singleton, 1947, 2
Charbonnet, G.H.; Singleton, W.S., Thermal properties of fats and oils. VI. Heat capacity, heats of fusion and transition, and entropy of trilaurin, trimyristin, tripalmitin, and tristearin, J. Am. Oil Chem. Soc., 1947, 24, 140-142. [all data]

Notes

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

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfusH	Enthalpy of fusion
  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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