Ethyl cyanoacetate
- Formula: C5H7NO2
- Molecular weight: 113.1146
- IUPAC Standard InChIKey: ZIUSEGSNTOUIPT-UHFFFAOYSA-N
- CAS Registry Number: 105-56-6
- 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: Acetic acid, cyano-, ethyl ester; Cyanoacetic acid, ethyl ester; Cyanoacetic ester; Ethyl cyanacetate; Ethyl cyanoethanoate; Malonic acid, ethyl ester nitrile; NCCH2COOC2H5; Cyanacetate ethyle; USAF KF-25; Estere cianoacetico; Ethylester kyseliny kyanoctove; UN 2666; Ethyl ester of cyanoacetic acid; Acetic acid, 2-cyano-, ethyl ester; NSC 8844
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Condensed phase thermochemistry data
Go To: Top, 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 | -78.95 | kcal/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-82.70 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -630.4 | kcal/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-82.70 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 65.805 | cal/mol*K | N/A | Iskhakov, Ismailov, et al., 1991 | S value does not agree with 87 KHO/BUG.; DH |
S°liquid | 42.412 | cal/mol*K | N/A | Khodzhaeva, Bugakov, et al., 1987 | S value does not agree with 91ISK/ISM.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.069 | 300. | Iskhakov, Ismailov, et al., 1991 | T = 90 to 300 K.; DH |
52.634 | 298.15 | Khodzhaeva, Bugakov, et al., 1987 | T = 90 to 300 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Iskhakov, Ismailov, et al., 1991
Iskhakov, B.G.; Ismailov, T.S.; Khodzhaeva, M.G.; Igamberdyev, Kh.T.; Mamadalimov, A.T.,
Heat capacity of cyanoacetic acid ethyl ester,
Inzh.-Fiz. Zh., 1991, 61(3), 427-430. [all data]
Khodzhaeva, Bugakov, et al., 1987
Khodzhaeva, M.G.; Bugakov, Yu.V.; Ismailov, T.S.,
Heat capacity and thermodynamic functions of ethyl cyanoacetate,
Khim.-Farm. Zhur., 1987, 21, 760-762. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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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