Diethyl carbonate
- Formula: C5H10O3
- Molecular weight: 118.1311
- IUPAC Standard InChI: InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
- 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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Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -162.9 ± 0.2 | kcal/mol | Ccr | Mansson, 1972 | ALS |
| ΔfH°liquid | -173.08 | kcal/mol | Ccb | Choi and Joncich, 1971 | Pedley's value is off by 10.19kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -648.94 ± 0.16 | kcal/mol | Ccr | Mansson, 1972 | Corresponding ΔfHºliquid = -162.89 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -638.75 | kcal/mol | Ccb | Choi and Joncich, 1971 | Pedley's value is off by 10.19kcal/mol; Corresponding ΔfHºliquid = -173.08 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 50.41 | 294.2 | Kolosovskii and Udovenko, 1934 | DH |
| 50.41 | 294.7 | de Kolossowsky and Udowenko, 1933 | DH |
| 43.50 | 298. | von Reis, 1881 | T = 297 to 416 K.; DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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, Condensed phase thermochemistry 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.
Mansson, 1972
Mansson, M.,
Enthalpies of combustion and formation of ethyl propionate and diethyl carbonate,
J. Chem. Thermodyn., 1972, 4, 865-871. [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]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W.,
Mesure des chaleurs specifique moleculaires de quelques liquides,
Compt. rend., 1933, 197, 519-520. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [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, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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