1,2-Ethanediol, diacetate

• Formula: C₆H₁₀O₄
• Molecular weight: 146.1412
• IUPAC Standard InChI: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: JTXMVXSTHSMVQF-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-55-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Ethylene glycol, diacetate; Ethanediol diacetate; Ethylene acetate; Ethylene diacetate; Glycol diacetate; 1,2-Diacetoxyethane; CH3C(O)OCH2CH2OC(O)CH3; Ethylene diacetin; Ethylene gycol diacetate; 2-Acetyloxyethyl acetate; 1,2-Ethanediol, 1,2-diacetate; Aptex Donor H-plus; Ethylene diethanoate; NSC 8853; Ethylene glycol acetate
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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

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

Enthalpy of vaporization

Antoine Equation Parameters

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

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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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Additional Data

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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Additional Data

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

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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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

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Tboil	Boiling point
  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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