Diethyl carbonate
- Formula: C5H10O3
- Molecular weight: 118.1311
- IUPAC Standard InChIKey: OIFBSDVPJOWBCH-UHFFFAOYSA-N
- CAS Registry Number: 105-58-8
- 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: Carbonic acid, diethyl ester; Ethyl carbonate; Diatol; Ethyl carbonate ((EtO)2CO); Eufin; C2H5OC(O)OC2H5; Ethoxyformic anhydride; Diaethylcarbonat; DEC; Diethylester kyseliny uhlicite; Diethylkarbonat; NCI-C60899; UN 2366; Diethyl ester of carbonic acid; NSC 8849
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Phase change data
Go To: Top, Gas phase ion energetics data, 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 399.6 ± 0.8 | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 50. ± 30. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.3 | 359. | EB | Xing, Fang, et al., 2009 | Based on data from 344. to 398. K.; AC |
39.7 | 367. | N/A | Rodríguez, Canosa, et al., 2002 | Based on data from 352. to 403. K.; AC |
40.9 | 323. | A | Stephenson and Malanowski, 1987 | Based on data from 308. to 400. K.; AC |
39.1 | 308. to 368. | MM | Choi and Joncich, 1971 | AC |
44.3 | 278. | N/A | Stull, 1947 | Based on data from 263. to 399. K.; 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 |
---|---|---|---|---|---|
263.1 to 399.0 | 4.77616 | 1721.904 | -37.959 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.24 | 198.2 | DSC | Ding, 2004 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O3+ | 11.72 | C2H4+C2H3 | EI | Holmes and Lossing, 1982 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Xing, Fang, et al., 2009
Xing, Yan; Fang, Wenjun; Li, Dan; Guo, Yongsheng; Lin, Ruisen,
Density, Viscosity, and Vapor Pressure for Binary Mixtures of Tricyclo [5.2.1.0 2.6 ] Decane and Diethyl Carbonate,
J. Chem. Eng. Data, 2009, 54, 6, 1865-1870, https://doi.org/10.1021/je800984q
. [all data]
Rodríguez, Canosa, et al., 2002
Rodríguez, A.; Canosa, J.; Domínguez, A.; Tojo, J.,
Isobaric Vapor-Liquid Equilibria of Diethyl Carbonate with Four Alkanes at 101.3 kPa,
J. Chem. Eng. Data, 2002, 47, 5, 1098-1102, https://doi.org/10.1021/je010260b
. [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]
Choi and Joncich, 1971
Choi, J.K.; Joncich, M.J.,
Heats of combustion, heats of formation and vapor pressures of some organic carbonates. Estimation of carbonate group contribution to heat of formation,
J. Chem. Eng. Data, 1971, 16, 87-90. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Ding, 2004
Ding, Michael S.,
Liquid-Solid Phase Equilibria and Thermodynamic Modeling for Binary Organic Carbonates,
J. Chem. Eng. Data, 2004, 49, 2, 276-282, https://doi.org/10.1021/je034134e
. [all data]
Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P.,
Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part II. The effect of substitution at charge-bearing sites,
Can. J. Chem., 1982, 60, 2365. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point 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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