Diethyl malonate
- Formula: C7H12O4
- Molecular weight: 160.1678
- IUPAC Standard InChI: InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
- IUPAC Standard InChIKey: IYXGSMUGOJNHAZ-UHFFFAOYSA-N
- CAS Registry Number: 105-53-3
- 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: Propanedioic acid, diethyl ester; Malonic acid, diethyl ester; Carbethoxyacetic ester; Dicarbethoxymethane; Diethyl propanedioate; Ethyl malonate; Malonic ester; Methanedicarboxylic acid, diethyl ester; NSC 8864; Propanedioic acid, 1,3-diethyl ester; 145601-68-9
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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 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 | -986.6 ± 4.2 | kJ/mol | Ccb | Verevkin, Beckhaus, et al., 1992 | Hc value was corrected by private communication with authors; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3483.0 ± 4.1 | kJ/mol | Ccb | Verevkin, Beckhaus, et al., 1992 | Hc value was corrected by private communication with authors; Corresponding ΔfHºliquid = -986.59 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 300.2 | 298.15 | Verevkin, Beckhaus, et al., 1992 | DH |
| 284.9 | 294.6 | Kolosovskii and Udovenko, 1934 | DH |
| 284.9 | 294.6 | de Kolossowsky and Udowenko, 1933 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Verevkin, Beckhaus, et al., 1992
Verevkin, S.P.; Beckhaus, H.-D.; Ruchardt, C.,
Geminale substituenteneffekte Teil 5α. Standardbildungsenthalpien von alkylsubstituierten Malonsaure- und α-aminocarbonsaureestern,
Thermochim. Acta, 1992, 197, 27-39. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
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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