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1,2-Ethanediol, diacetate

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
269.2298.15Nilsson and Wadso, 1986 
310.298.15Sandulescu, Ciopec, et al., 1983T = 273.15 to 323.15 K. Cp°(kJ/kg*K) = 0.044175T - 11.049.

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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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
Tboil459.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil463.2KN/AWeast and Grasselli, 1989BS
Tboil466.15KN/AKusano, 1978Uncertainty assigned by TRC = 1.5 K; accompanied by decomposition; TRC
Quantity Value Units Method Reference Comment
Deltavap61.4 ± 0.2kJ/molGSVerevkin, Emel'yanenko, et al., 2009Based on data from 291. - 334. K.; AC
Deltavap61.44 ± 0.15kJ/molCNilsson and Wadso, 1986ALS
Deltavap61.4 ± 0.2kJ/molCNilsson and Wadso, 1986AC
Deltavap61.04 ± 0.02kJ/molCKusano and Wads, 1970ALS
Deltavap61.0 ± 0.1kJ/molCKusano and Wadso, 1970AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
55.2326.AStephenson and Malanowski, 1987Based on data from 311. - 464. K.; AC
57.6388.N/ATaylor and Rinkenbach, 1926Based on data from 373. - 463. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
373. - 463.3.34065990.526-166.6Taylor and Rinkenbach, 1926Coefficents calculated by NIST from author's data.

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

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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

Spectrum

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Mass 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 NIST Mass Spectrometry Data Center, 2007
NIST MS number 351942

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

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

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Column type Active phase I Reference Comment
PackedSE-301008.Gnauck, 1984N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 50. C
PackedSE-301010.Gnauck, 1984N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 50. C
PackedSE-301007.Gnauck, 1984N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 50. C
PackedSE-301010.Gnauck, 1984N2, Chromosorb W AW DMCS, 8. K/min; Column length: 2. m; Tstart: 50. C
PackedSE-301007.Gnauck, 1984N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 70. C
PackedSE-301008.Gnauck, 1984N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 70. C
PackedSE-301007.Gnauck, 1984N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 70. C
PackedSE-301011.Gnauck, 1984N2, Chromosorb W AW DMCS, 8. K/min; Column length: 2. m; Tstart: 70. C
PackedSE-301007.Gnauck, 1984N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 90. C
PackedSE-301010.Gnauck, 1984N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 90. C
PackedSE-301002.Gnauck, 1984N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 90. C
PackedSE-301009.Gnauck, 1984N2, Chromosorb W AW DMCS, 8. K/min; Column length: 2. m; Tstart: 90. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS993.9Zheng and White, 200830. m/0.25 mm/0.25 «mu»m, He; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes1006.Zenkevich and Chupalov, 1996Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryZB-Wax1490.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1531.Parker, Tsormpatsidis, et al., 2010Program: not specified
CapillaryStabilwax1555.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)
CapillaryDB-Wax1539.Peng, Yang, et al., 1991Program: not specified

References

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

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

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]

Sandulescu, Ciopec, et al., 1983
Sandulescu, D.; Ciopec, M.; Pantea, O., Evaluation of heat capacity of liquids using noncalorimetric methods, Rev. Chim. (Bucharest), 1983, 34, 24-43. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Kusano, 1978
Kusano, K., Densities, Refractive Indexes, and Normal Boiling Points of 1,2-Disubstituted Ethylene Glycol Derivatives, J. Chem. Eng. Data, 1978, 23, 141. [all data]

Verevkin, Emel'yanenko, et al., 2009
Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Toktonov, Alexey V.; Leolko, Anna S.; Duwensee, Julia; Kragl, Udo; Sarge, Stefan M., Thermochemical and Ab Initio Studies of Biodiesel Fuel Surrogates: 1,2,3-Propanetriol Triacetate, 1,2-Ethanediol Diacetate, and 1,2-Ethanediol Monoacetate «8224», Ind. Eng. Chem. Res., 2009, 48, 15, 7388-7399, https://doi.org/10.1021/ie900308u . [all data]

Kusano and Wads, 1970
Kusano, K.; Wads, I., Enthalpies of vaporization of organic compounds, Acta Chem. Scand., 1970, 24, 2037. [all data]

Kusano and Wadso, 1970
Kusano, K.; Wadso, I., Enthalpies of vaporization of organic compounds, Acta Chem. Scand., 1970, 24, 2037-2042. [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]

Taylor and Rinkenbach, 1926
Taylor, C.A.; Rinkenbach, Wm.H., THE PROPERTIES OF GLYCOL DIACETATE 1, J. Am. Chem. Soc., 1926, 48, 5, 1305-1309, https://doi.org/10.1021/ja01416a026 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Gnauck, 1984
Gnauck, R., Gaschromatographische Trennung und Identifizierung Polyfunktioneller Polyetheralkohole, J. Chromatogr., 1984, 284, 87-96, https://doi.org/10.1016/S0021-9673(01)87804-3 . [all data]

Zheng and White, 2008
Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A., A new aroma index to determine the aroma quality of roasted and ground coffee during storage, Food Technol. Biotechnol., 2008, 46, 4, 442-447. [all data]

Parker, Tsormpatsidis, et al., 2010
Parker, J.K.; Tsormpatsidis, E.; Elmore, J.S.; Wagstaffe, A.; Mottram, D.S., Solid-phase extraction as a routine method for comparing key aroma compounds in fruits in Expression of Multidisciplinary Flavour Science, Blank, I.; Wust, M.; Yeretzian C., ed(s)., Zurcher Hochschule fur Angewandte Wissenschaften, Wadenswil, Switzerland, 2010, 521-524. [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]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

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