Tristearin

• Formula: C₅₇H₁₁₀O₆
• Molecular weight: 891.4797
• IUPAC Standard InChI: InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: DCXXMTOCNZCJGO-UHFFFAOYSA-N Copy
• CAS Registry Number: 555-43-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Octadecanoic acid, 1,2,3-propanetriyl ester; Stearin, tri-; Glycerol trioctadecanoate; Glycerol tristearate; Glyceryl tristearate; Spezialfett 118; Stearic acid triglyceride; Stearic acid triglycerin ester; Stearic triglyceride; Stearoyl triglyceride; Trioctadecanoin; 1,2,3-Propanetriyl trioctadecanoate; Dynasan 118; Stearin; Glycowax S 932; Hardened oil; Octadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 + 3 =

By formula: C₅₇H₁₀₄O₆ + 3H₂ = C₅₇H₁₁₀O₆

9 + C₅₇H₉₂O₆ =

By formula: 9H₂ + C₅₇H₉₂O₆ = C₅₇H₁₁₀O₆

3 +  =

By formula: 3H₂ + C₅₇H₁₀₄O₆ = C₅₇H₁₁₀O₆

3 +  =

By formula: 3H₂ + C₅₇H₁₀₄O₆ = C₅₇H₁₁₀O₆

6 +  =

By formula: 6H₂ + C₅₇H₉₈O₆ = C₅₇H₁₁₀O₆

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, Reaction thermochemistry data, Mass spectrum (electron ionization), NIST Subscription Links, Notes

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 and transition, and entropy of trilaurin, trimyristin, tripalmitin, and tristearin, J. Am. Oil Chem. Soc., 1947, 24, 140-142. [all data]

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]

Cheshko and Shvaika, 1971
Cheshko, F.F.; Shvaika, T.N., Syntheses and Identification of Esters of Certain Mono- and Di-carboxylic Acids, Zh. Prikl. Khim., 1971, 44, 1107-16. [all data]

Tammann, 1913
Tammann, G., Nachr. Ges. Wiss. Goettingen, Math.-Phys. Kl., 1913, 1913, 335. [all data]

Ollivon and Perron, 1982
Ollivon, M.; Perron, R., Thermochim. Acta, 1982, 53, 183-194. [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, J. Am. Oil Chem. Soc., 1947, 24, 140. [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]

Rogers and Choudhury, 1978
Rogers, D.W.; Choudhury, D.N., Heats of hydrogenation of large molecules. Part 3 - Five simple unsaturated triglycerides (triacylglycerols), J. Chem. Soc. Faraday Trans. 1, 1978, 74, 2868-2872. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  S°liquid	Entropy of liquid at standard conditions
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔrH°	Enthalpy of reaction 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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