1,2-Ethanediol, diacetate
- Formula: C6H10O4
- Molecular weight: 146.1412
- IUPAC Standard InChIKey: JTXMVXSTHSMVQF-UHFFFAOYSA-N
- 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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Phase change data
Go To: Top, 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 - 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 |
---|---|---|---|---|---|
Tboil | 459.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 463.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 466.15 | K | N/A | Kusano, 1978 | Uncertainty assigned by TRC = 1.5 K; accompanied by decomposition; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 14.7 ± 0.05 | kcal/mol | GS | Verevkin, Emel'yanenko, et al., 2009 | Based on data from 291. to 334. K.; AC |
ΔvapH° | 14.68 ± 0.036 | kcal/mol | C | Nilsson and Wadso, 1986 | ALS |
ΔvapH° | 14.7 ± 0.05 | kcal/mol | C | Nilsson and Wadso, 1986 | AC |
ΔvapH° | 14.59 ± 0.005 | kcal/mol | C | Kusano and Wads, 1970 | ALS |
ΔvapH° | 14.6 ± 0.02 | kcal/mol | C | Kusano and Wadso, 1970 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.2 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 311. to 464. K.; AC |
13.8 | 388. | N/A | Taylor and Rinkenbach, 1926 | Based on data from 373. to 463. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
373. to 463. | 3.33494 | 990.526 | -166.6 | Taylor and Rinkenbach, 1926 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | NIST Mass Spectrometry Data Center, 2007 |
NIST MS number | 351942 |
Gas Chromatography
Go To: Top, Phase change data, 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 Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1008. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 50. C |
Packed | SE-30 | 1010. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 50. C |
Packed | SE-30 | 1007. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 50. C |
Packed | SE-30 | 1010. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 8. K/min; Column length: 2. m; Tstart: 50. C |
Packed | SE-30 | 1007. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 70. C |
Packed | SE-30 | 1008. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 70. C |
Packed | SE-30 | 1007. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 70. C |
Packed | SE-30 | 1011. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 8. K/min; Column length: 2. m; Tstart: 70. C |
Packed | SE-30 | 1007. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 10. K/min; Column length: 2. m; Tstart: 90. C |
Packed | SE-30 | 1010. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 4. K/min; Column length: 2. m; Tstart: 90. C |
Packed | SE-30 | 1002. | Gnauck, 1984 | N2, Chromosorb W AW DMCS, 6. K/min; Column length: 2. m; Tstart: 90. C |
Packed | SE-30 | 1009. | Gnauck, 1984 | N2, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 993.9 | Zheng and White, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 1006. | Zenkevich and Chupalov, 1996 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 1490. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1531. | Parker, Tsormpatsidis, et al., 2010 | Program: not specified |
Capillary | Stabilwax | 1555. | Chinnici, Guerrero, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) |
Capillary | DB-Wax | 1539. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Phase change data, 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.
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]
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]
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, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
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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