Tributyrin
- Formula: C15H26O6
- Molecular weight: 302.3633
- IUPAC Standard InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N
- CAS Registry Number: 60-01-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Butanoic acid, 1,2,3-propanetriyl ester; Butyrin, tri-; Butyryl triglyceride; Glycerin tributyrate; Glycerol tributanoate; Glycerol tributyrate; Glyceryl tributyrate; Tri-n-butyrin; Tributin; Tributyroin; Tributyryl glyceride; Butyric acid triester with glycerin; 1,2,3-Propanetriol, tributyrate; Butyrin; Glyceroltributyrin; NSC 661583
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -1941.3 | kcal/mol | Ccb | Karrer and Fioroni, 1922 | Corresponding ΔfHºliquid = -357.6 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 |
---|---|---|---|
132.7 | 298.15 | Nilsson and Wadso, 1986 | DH |
136. | 313. | Phillips and Mattamal, 1976 | T = 313 to 413 K.; DH |
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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 580.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 25.590 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 20.3 ± 0.60 | kcal/mol | TGA | Kishore, Shobha, et al., 1990 | AC |
ΔvapH° | 25.60 ± 0.24 | kcal/mol | C | Nilsson and Wadso, 1986 | ALS |
ΔvapH° | 25.60 ± 0.24 | kcal/mol | C | Nilsson and Wadso, 1986 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
463.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.0 | 308. | TGA | Kishore, Shobha, et al., 1990 | AC |
19.5 | 333. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 364. K.; AC |
Gas Chromatography
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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
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 150. | 1816. | Leol'ko, Krasnykh, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 160. | 1815. | Leol'ko, Krasnykh, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 170. | 1813. | Leol'ko, Krasnykh, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 180. | 1812. | Leol'ko, Krasnykh, et al., 2007 | He; Column length: 30. m; Column diameter: 0.25 mm |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Karrer and Fioroni, 1922
Karrer, P.; Fioroni, W.,
313. Polysaccharide (XVI. Mittellung),
Ber., 1922, 55, 2854-2863. [all data]
Nilsson and Wadso, 1986
Nilsson, S.-O.; Wadso, I.,
Thermodynamic properties of some mono-, di-, and tri esters. Enthalpies of solution in water at 288.15 to 318.15 K and enthalpies of vaporization and heat capacities at 298.15 K,
J. Chem. Thermodyn., 1986, 18, 673-681. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]
Leol'ko, Krasnykh, et al., 2007
Leol'ko, A.S.; Krasnykh, E.L.; Levanova, S.L.; Kukushkin, I.K.,
Synthesis and identification of glycerol esters,
Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol., 2007, 50, 4, 125-127. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid 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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