Ethyl Acetate
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
- CAS Registry Number: 141-78-6
- 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, ethyl ester; Acetic ether; Acetidin; Acetoxyethane; Ethyl acetic ester; Ethyl ethanoate; Vinegar naphtha; CH3COOC2H5; Aethylacetat; Essigester; Ethyle (acetate d'); Etile (acetato di); Ethylacetaat; Ethylester kyseliny octove; Rcra waste number U112; UN 1173; Ethyl ester of acetic acid; 1-Acetoxyethane; NSC 70930; ac. acetic ethyl ester
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Gas 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -445.43 ± 0.84 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°gas | -444.8 ± 0.4 | kJ/mol | Cm | Wiberg and Waldron, 1991 | Heat of hydrolysis; ALS |
ΔfH°gas | -443.8 | kJ/mol | N/A | Fenwick, Harrop, et al., 1978 | Value computed using ΔfHliquid° value of -478.8±0.7 kj/mol from Fenwick, Harrop, et al., 1978 and ΔvapH° value of 35.1 kj/mol from Wiberg and Waldron, 1991.; DRB |
ΔfH°gas | -446.9 | kJ/mol | N/A | Butwill and Rockenfeller, 1970 | Value computed using ΔfHliquid° value of -482.0±4.0 kj/mol from Butwill and Rockenfeller, 1970 and ΔvapH° value of 35.1 kj/mol from Wiberg and Waldron, 1991.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 362.75 | J/mol*K | N/A | Stull D.R., 1969 | The value of 377.02 J/mol*K was determined from equilibrium study [ Vvedenskii A.A., 1949]. The S(298.15 K)=365.6 J/mol*K was calculated from data for related compounds by difference method [ Dorofeeva O.V., 1997]. Please also see Parks G.S., 1933.; GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
125.82 | 360. | Connett J.E., 1976 | GT |
131.06 | 380. | ||
136.22 | 400. | ||
142.80 | 425. | ||
149.47 | 450. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
113.64 | 298.15 | Stull D.R., 1969 | Selected values were based on extrapolation of heat capacity data [ Bennewitz K., 1938, Jatkar S.K.K., 1939] to high temperatures.; GT |
113.97 | 300. | ||
137.40 | 400. | ||
161.92 | 500. | ||
182.63 | 600. | ||
199.53 | 700. | ||
213.43 | 800. | ||
224.89 | 900. | ||
234.51 | 1000. |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M.,
Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups,
J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Wiberg and Waldron, 1991
Wiberg, K.B.; Waldron, R.F.,
Lactones. 2. Enthalpies of hydrolysis, reduction, and formation of the C4-C13 monocyclic lactones. strain energies and conformations,
J. Am. Chem. Soc., 1991, 113, 7697-7705. [all data]
Fenwick, Harrop, et al., 1978
Fenwick, J.O.; Harrop, D.; Head, A.J.,
Thermodynamic properties of organic oxygen compounds. 46. Enthalpies of formation of ethyl acetate and 1-hexanoix acid,
J. Chem. Thermodyn., 1978, 10, 687-690. [all data]
Butwill and Rockenfeller, 1970
Butwill, M.E.; Rockenfeller, J.D.,
Heats of combustion and formation of ethyl acetate and isopropyl acetate,
Thermochim. Acta, 1970, 1, 289-295. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Vvedenskii A.A., 1949
Vvedenskii A.A.,
Thermodynamics of the dehydrogenation reactions of alcohols. The equilibrium 2 C2H5OH = CH3COOC2H5 + 2 H2,
Zh. Obshch. Khim., 1949, 19, 1094-1100. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Parks G.S., 1933
Parks G.S.,
Thermal data on organic compounds. XI. The heat capacities, entropies and free energies of ten compounds containing oxygen or nitrogen,
J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]
Connett J.E., 1976
Connett J.E.,
Thermodynamic properties of organic oxygen compounds. XLIV. Vapor heat capacities and enthalpies of vaporization of methyl acetate, ethyl acetate, and propyl acetate,
J. Chem. Thermodyn., 1976, 8, 1199-1203. [all data]
Bennewitz K., 1938
Bennewitz K.,
Molar heats of vapor organic compounds,
Z. Phys. Chem. (Leipzig), 1938, B39, 126-144. [all data]
Jatkar S.K.K., 1939
Jatkar S.K.K.,
Supersonic velocity in gases and vapors. VI. Specific heats of the vapors of alcohols and ethyl acetate,
J. Indian Inst. Sci., 1939, A22, 39-58. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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