Glycerol tricaprylate
- Formula: C27H50O6
- Molecular weight: 470.6823
- IUPAC Standard InChI: InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
- IUPAC Standard InChIKey: VLPFTAMPNXLGLX-UHFFFAOYSA-N
- CAS Registry Number: 538-23-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Tricaprylin; Octanoin, tri-; Caprylic acid triglyceride; Caprylin; Glycerol trioctanoate; Glyceryl trioctanoate; Octanoic acid triglyceride; RATO; Tricaprylic Glyceride; Trioctanoin; Trioctanoylglycerol; Octanoic acid, 1,2,3-propanetriyl ester; Maceight; Glycerin tricaprylate; Tricaprylyl glycerin; Tricapryloylglycerol; Panacete 800; Glyceryl tricaprylate; Caprylic triglyceride; Captex 8000; Emalex KTG; Miglyol 808; NSC 4059; Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; Sefsol 810; Tricaprilin; 2,3-Bis(octanoyloxy)propyl octanoate; 114355-15-6
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Condensed phase thermochemistry data
Go To: Top, Phase change 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 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 |
|---|---|---|---|---|---|
| ΔcH°solid | -3647.00 ± 0.44 | kcal/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºsolid = -600.26 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 |
|---|---|---|---|
| 220. | 338. | Phillips and Mattamal, 1976 | T = 338 to 413 K.; DH |
Phase change data
Go To: Top, Condensed phase 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 32.4 ± 1.1 | kcal/mol | TGA | Kishore, Shobha, et al., 1990 |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 28.37 | 386. | TGA | Kishore, Shobha, et al., 1990 | |
| 27.7 | 411. | A,T | Stephenson and Malanowski, 1987 | Based on data from 396. to 453. K. See also Perry, Weber, et al., 1949. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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]
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid 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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