Tripalmitin
- Formula: C51H98O6
- Molecular weight: 807.3202
- IUPAC Standard InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N
- CAS Registry Number: 555-44-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Hexadecanoic acid, 1,2,3-propanetriyl ester; Palmitin, tri-; Glycerol tripalmitate; Glyceryl tripalmitate; Palmitic acid triglycerin ester; Palmitic triglyceride; Spezialfett 116; Triglyceryl palmitate; Tripalmitoylglycerol; Dynasan 116; Barolub; Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; Tripalmitate
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, 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 - 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 | 1387.4 | J/mol*K | N/A | Charbonnet and Singleton, 1947 | For c,β: extrapolation below 90 K, 415.1 J/mol*K.; DH |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -31605.9 ± 1.8 | kJ/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºsolid = -2468.7 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 |
---|---|---|---|
1665. | 343. | Phillips and Mattamal, 1976 | T = 343 to 418 K.; DH |
1753.1 | 338.8 | Charbonnet and Singleton, 1947 | T = 87 to 369 K. Value is unsmoothed experimental datum. Data for c,α, 195 to 252 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 338.8 | K | N/A | Cheshko and Shvaika, 1971 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 339.4 | K | N/A | Boelhouwer, Nederbragt, et al., 1950 | Uncertainty assigned by TRC = 0.7 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 318.4 | K | N/A | Ollivon and Perron, 1982 | Crystal phase 3 phase; Uncertainty assigned by TRC = 1. K; TRC |
Ttriple | 329.3 | K | N/A | Ollivon and Perron, 1982 | Crystal phase 2 phase; Uncertainty assigned by TRC = 1. K; TRC |
Ttriple | 339.5 | K | N/A | Ollivon and Perron, 1982 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Ttriple | 317.9 | K | N/A | Charbonnet and Singleton, 1947, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 338.9 | K | N/A | Charbonnet and Singleton, 1947, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 217.1 ± 7.6 | kJ/mol | TGA | Kishore, Shobha, et al., 1990 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
166.3 | 483. | TGA | Kishore, Shobha, et al., 1990 | AC |
160.8 | 521. | A,T | Stephenson and Malanowski, 1987 | Based on data from 506. to 572. K. See also Perry, Weber, et al., 1949.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
162.6 | 340.5 | DSC | Hong, Hua, et al., 2010 | AC |
121. | 337.4 | DSC | Li, Rodrigues, et al., 2006 | AC |
179.37 | 338.9 | N/A | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
126.335 | 317.9 | crystaline, α | liquid | Charbonnet and Singleton, 1947 | DH |
179.370 | 338.9 | crystaline, β | liquid | Charbonnet and Singleton, 1947 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
397.4 | 317.9 | crystaline, α | liquid | Charbonnet and Singleton, 1947 | DH |
529.3 | 338.9 | crystaline, β | liquid | Charbonnet and Singleton, 1947 | DH |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 3663 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 2,3-bis(palmitoyloxy)propyl palmitate |
State | SOLID (COCONITRILE MULL) |
Instrument | PERKIN-ELMER |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | EP-1264 |
NIST MS number | 43690 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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]
Boelhouwer, Nederbragt, et al., 1950
Boelhouwer, J.W.M.; Nederbragt, G.W.; Verberg, G.W.,
Viscosity data of organic liquids,
Appl. Sci. Res., Sect. A, 1950, 2, 249. [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]
Hong, Hua, et al., 2010
Hong, Jindui; Hua, Dan; Wang, Xia; Wang, Hongtao; Li, Jun,
Solid-Liquid-Gas Equilibrium of the Ternaries Ibuprofen + Myristic Acid + CO 2 and Ibuprofen + Tripalmitin + CO 2,
J. Chem. Eng. Data, 2010, 55, 1, 297-302, https://doi.org/10.1021/je900342a
. [all data]
Li, Rodrigues, et al., 2006
Li, Jun; Rodrigues, Miguel; Paiva, Alexandre; Matos, Henrique A.; Azevedo, Edmundo Gomes de,
Binary solid--liquid--gas equilibrium of the tripalmitin/CO2 and ubiquinone/CO2 systems,
Fluid Phase Equilibria, 2006, 241, 1-2, 196-204, https://doi.org/10.1016/j.fluid.2005.12.017
. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- 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 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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