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
- IUPAC Standard InChIKey: DCXXMTOCNZCJGO-UHFFFAOYSA-N
- 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
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 366.80 | cal/mol*K | N/A | Charbonnet and Singleton, 1947 | For c,β: extrapolation below 90 K, 462.8 J/mol*K.; DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -8558.00 ± 0.44 | kcal/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºsolid = -560.24 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 472.0 | 353. | Phillips and Mattamal, 1976 | T = 353 to 453 K.; DH |
| 470.60 | 346.5 | Charbonnet and Singleton, 1947 | T = 96 to 372 K. Value is unsmoothed experimental datum. Data for c,α, 192 to 226 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, 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]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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