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Triacetin

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

Quantity Value Units Method Reference Comment
Deltafliquid-1330.8 ± 4.2kJ/molCcbTavernier and Lamouroux, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -1321.2 kJ/mol; Author's hf298_condensed=-320.274 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4211.6 ± 4.2kJ/molCcbTavernier and Lamouroux, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -4221.263 kJ/mol; Author's hf298_condensed=-320.274 kcal/mol; Corresponding «DELTA»fliquid = -1330.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid458.3J/mol*KN/ARabinovich, Khlyustova, et al., 1983DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
389.0298.15Nilsson and Wadso, 1986DH
384.7300.Rabinovich, Khlyustova, et al., 1983T = 9 to 320 K.; DH
402.298.15Fuchs, 1979DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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:
BS - R.L. Brown and S.E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

Quantity Value Units Method Reference Comment
Tboil520. ± 70.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus195.KN/AHutchings, Nicklasson, et al., 1993Glass phase; Uncertainty assigned by TRC = 10. K; Presumably this is glass transition temp.; TRC
Tfus277.15KN/AYumashev, Demchenko, et al., 1984Uncertainty assigned by TRC = 0.8 K; TRC
Tfus277.3KN/ABaur, 1954Uncertainty assigned by TRC = 0.5 K; TRC
Tfus276.4KN/AHancock, Sylvester, et al., 1948Uncertainty assigned by TRC = 2. K; Tends to undercool to form a glass at -60 to -78 C. Crystalization can be induced by seeding; TRC
Tfus213.KN/ATimmermans, 1922Uncertainty assigned by TRC = 50. K; presumably this is the glass transition temp.; TRC
Quantity Value Units Method Reference Comment
Ttriple275.25KN/ARabinovich, Khlyustova, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap84. ± 3.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
82.0299.AStephenson and Malanowski, 1987Based on data from 284. - 319. K. See also Woodman and Adicoff, 1963.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
25.800275.25Rabinovich, Khlyustova, et al., 1983DH
25.8275.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
93.8275.25Rabinovich, Khlyustova, et al., 1983DH

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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 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- 537
NIST MS number 229309

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Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, 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 by: NIST Mass Spec Data Center, S.E. Stein, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101200.1285.Adam, 1981Column length: 50. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedOV-1011348.Alley and Dykes, 19726. K/min; Tstart: 70. C; Tend: 220. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-301282.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51344.David, Scanlan, et al., 200050. m/0.32 mm/1.05 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 290. C
CapillaryDB-11306.Flath, Light, et al., 199050. C @ 0.1 min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101110.1313.Leol'ko, Krasnykh, et al., 2007He; Column length: 30. m; Column diameter: 0.25 mm
CapillaryOV-101120.1310.Leol'ko, Krasnykh, et al., 2007He; Column length: 30. m; Column diameter: 0.25 mm
CapillaryOV-101130.1308.Leol'ko, Krasnykh, et al., 2007He; Column length: 30. m; Column diameter: 0.25 mm
CapillaryOV-101140.1305.Leol'ko, Krasnykh, et al., 2007He; Column length: 30. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51350.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySLB-5 MS1339.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1346.Mondello, 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryHP-51344.4David, Scanlan, et al., 200250. m/0.32 mm/1.05 «mu»m, He; Program: not specified
OtherMethyl Silicone1282.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-Wax2077.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax2103.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillaryCarbowax 20M2029.Vinogradov, 2004Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Tavernier and Lamouroux, 1956
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt-six substances organiques, Mem. Poudres, 1956, 38, 65-88. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Rabinovich, Khlyustova, et al., 1983
Rabinovich, I.B.; Khlyustova, T.B.; Mochalov, A.N.; Kokurina, N.Yu., The heat capacity and thermodynamic properties of triacetin in the temperature range 0-320 K, Zhur. Fiz. Khim., 1983, 57, 2867-2869. [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]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [all data]

Hutchings, Nicklasson, et al., 1993
Hutchings, D.; Nicklasson, M.; Sakr, A.A., Pharazie, 1993, 38, 912-4. [all data]

Yumashev, Demchenko, et al., 1984
Yumashev, N.V.; Demchenko, M.D.; Libov, V.S.; Miroshnichenko, E.; Perova, T.S.; Agich, A.A., Zh. Obshch. Khim., 1984, 54, 743-7. [all data]

Baur, 1954
Baur, F.J., J. Phys. Chem., 1954, 58, 380. [all data]

Hancock, Sylvester, et al., 1948
Hancock, B.; Sylvester, D.M.; Forman, S.E., Crystalization fo Triacetin, J. Am. Chem. Soc., 1948, 70, 425. [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Rabinovich, Khlyustova, et al., 1983, 2
Rabinovich, I.B.; Khlyustova, T.B.; Mochalov, A.N.; Kokurina, N.Y., The Heat Capacity and Thermodynamic Properties of Triacetin in the Temperature Rante 0 - 320 K, Zh. Fiz. Khim., 1983, 57, 2867. [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]

Woodman and Adicoff, 1963
Woodman, A.L.; Adicoff, A., Vapor pressure of triacetin, triethylene glycol dinitrte, and metriol trinitrate, J. Chem. Eng. Data, 1963, 8, 241-242. [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]

Adam, 1981
Adam, S., Separation of mono- and di-saccharide derivatives by high-resolution gas chromatography, Z. Lebensm. Unters. Forsch., 1981, 173, 2, 109-112, https://doi.org/10.1007/BF01042273 . [all data]

Alley and Dykes, 1972
Alley, B.J.; Dykes, H.W.H., Gas-Liquid Chromatographic Determination of Nitrate Esters,Stabilizers and Plasticizers in Nitrocellulose-Base Propellants, J. Chromatogr., 1972, 71, 1, 23-37, https://doi.org/10.1016/S0021-9673(01)85687-9 . [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P., Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]

Flath, Light, et al., 1990
Flath, R.A.; Light, D.M.; Jang, E.B.; Mon, T.R.; John, J.O., Headspace Examination of Volatile Emissions from Ripening Papaya (Carica papaya L., Solo Variety), J. Agric. Food Chem., 1990, 38, 4, 1060-1063, https://doi.org/10.1021/jf00094a032 . [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]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M., Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C., Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication, J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References