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Tristearin

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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 - E.S. Domalski and E.D. Hearing
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein

Quantity Value Units Method Reference Comment
liquid1534.7J/mol*KN/ACharbonnet and Singleton, 1947For c,«beta»: extrapolation below 90 K, 462.8 J/mol*K.; DH
Quantity Value Units Method Reference Comment
Deltacsolid-35806.7 ± 1.8kJ/molCcbFreedman, Bagby, et al., 1989Corresponding «DELTA»fsolid = -2344.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
1975.353.Phillips and Mattamal, 1976T = 353 to 453 K.; DH
1969.0346.5Charbonnet and Singleton, 1947T = 96 to 372 K. Value is unsmoothed experimental datum. Data for c,«alpha», 192 to 226 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

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, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tfus344.6KN/ACheshko and Shvaika, 1971Uncertainty assigned by TRC = 2. K; TRC
Tfus330.KN/ATammann, 1913Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple336.7KN/AOllivon and Perron, 1982Crystal phase 2 phase; Uncertainty assigned by TRC = 1. K; TRC
Ttriple346.3KN/AOllivon and Perron, 1982Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Ttriple328.3KN/AOllivon and Perron, 1982Crystal phase 3 phase; Uncertainty assigned by TRC = 1. K; TRC
Ttriple327.2KN/ACharbonnet and Singleton, 1947, 2Crystal phase 2 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple345.7KN/ACharbonnet and Singleton, 1947, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap236.2 ± 8.3kJ/molTGAKishore, Shobha, et al., 1990AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
174.9506.TGAKishore, Shobha, et al., 1990AC
167.5536.A,TStephenson and Malanowski, 1987Based on data from 521. - 588. K. See also Perry, Weber, et al., 1949.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
203.26345.7Domalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
145.080327.2crystaline, «alpha»liquidCharbonnet and Singleton, 1947DH
203.260345.7crystaline, «beta»liquidCharbonnet and Singleton, 1947DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
443.4327.2crystaline, «alpha»liquidCharbonnet and Singleton, 1947DH
588.0345.7crystaline, «beta»liquidCharbonnet and Singleton, 1947DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

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

Data compiled by: H.Y. Afeefy, J.F. Liebman, and S.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

Triolein + 3Hydrogen = Tristearin

By formula: C57H104O6 + 3H2 = C57H110O6

Quantity Value Units Method Reference Comment
Deltar-1592.2kJ/molChydRogers and Choudhury, 1978liquid phase; solvent: Hexane

9Hydrogen + C57H92O6 = Tristearin

By formula: 9H2 + C57H92O6 = C57H110O6

Quantity Value Units Method Reference Comment
Deltar-1132.5kJ/molChydRogers and Choudhury, 1978liquid phase; solvent: Hexane

3Hydrogen + 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)- = Tristearin

By formula: 3H2 + C57H104O6 = C57H110O6

Quantity Value Units Method Reference Comment
Deltar-1577.kJ/molChydRogers and Choudhury, 1978liquid phase; solvent: Hexane

3Hydrogen + Glycerol cis-6-octadecenoate = Tristearin

By formula: 3H2 + C57H104O6 = C57H110O6

Quantity Value Units Method Reference Comment
Deltar-378.05kJ/molChydRogers and Choudhury, 1978liquid phase; solvent: Hexane

6Hydrogen + Trilinolein = Tristearin

By formula: 6H2 + C57H98O6 = C57H110O6

Quantity Value Units Method Reference Comment
Deltar-757.05kJ/molChydRogers and Choudhury, 1978liquid phase; solvent: Hexane

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes

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 Spec Data Center, S.E. Stein, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 609
NIST MS number 228252

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.

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

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