Ethyl Acetate

Formula: C₄H₈O₂
Molecular weight: 88.1051
IUPAC Standard InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
IUPAC Standard InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
CAS Registry Number: 141-78-6
Chemical structure:
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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 Kinetics Database
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Condensed phase thermochemistry data

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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
Δ_fH°_liquid	-480.57 ± 0.79	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	ALS
Δ_fH°_liquid	-479.86 ± 0.46	kJ/mol	Cm	Wiberg and Waldron, 1991	Heat of hydrolysis; ALS
Δ_fH°_liquid	-478.82 ± 0.73	kJ/mol	Ccb	Fenwick, Harrop, et al., 1978	ALS
Δ_fH°_liquid	-482.0 ± 4.0	kJ/mol	Ccb	Butwill and Rockenfeller, 1970	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2238.54 ± 0.48	kJ/mol	Ccb	Fenwick, Harrop, et al., 1978	Corresponding Δ_fHº_liquid = -478.82 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2235.4 ± 3.9	kJ/mol	Ccb	Butwill and Rockenfeller, 1970	Corresponding Δ_fHº_liquid = -481.95 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2256.	kJ/mol	Ccb	Roth and Muller, 1929	Corresponding Δ_fHº_liquid = -461.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2246.	kJ/mol	Ccb	Guinchant, 1918	Corresponding Δ_fHº_liquid = -471.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	259.4	J/mol*K	N/A	Parks, Huffman, et al., 1933	Extrapolation below 90 K, 62.80 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
168.94	298.15	Pintos, Bravo, et al., 1988	DH
170.59	298.32	Zabransky, Hynek, et al., 1987	T = 294 to 340 K. Unsmoothed experimental datum.; DH
169.30	298.15	Jimenez, Romani, et al., 1986	DH
169.06	298.15	Baluja, Bravo, et al., 1985	DH
169.6	298.15	Costas and Patterson, 1985	T = 283.15, 298.15, 313.15 K.; DH
169.6	298.15	Costas and Patterson, 1985, 2	DH
167.4	298.15	Fuchs, 1979	DH
169.5	298.1	Roux, Perron, et al., 1978	T = 283 to 313 K.; DH
168.82	303.61	Zhdanov, 1945	T = 5 to 46°C. Value is unsmoothed experimental datum.; DH
157.7	290.	Kurnakov and Voskresenskaya, 1936	DH
169.20	293.6	Parks, Huffman, et al., 1933	T = 92 to 294 K. Value is unsmoothed experimental datum.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

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]

Roth and Muller, 1929
Roth, W.A.; Muller, Fr., Die Zersetzungswarme der Stickstoffwasserstoffsaure, Ber., 1929, 62, 1188-1194. [all data]

Guinchant, 1918
Guinchant, M.J., Etude sur la fonction acide dans les derives metheniques et methiniques, Ann. Chem., 1918, 10, 30-84. [all data]

Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M., 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]

Pintos, Bravo, et al., 1988
Pintos, M.; Bravo, R.; Baluja, M.C.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Can. J. Chem., 1988, 1179. [all data]

Zabransky, Hynek, et al., 1987
Zabransky, M.; Hynek, V.; Finkeova-Hastabova, J.; Vesely, F., Heat capacities of six liquid esters as a function of temperature, Coll. Czech. Chem. Comm., 1987, 52, 251-256. [all data]

Jimenez, Romani, et al., 1986
Jimenez, E.; Romani, L.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Molar excess heat capacities and volumes for mixtures of alkanoates with cyclohexane at 25°C, J. Solution Chem., 1986, 15(11), 879-890. [all data]

Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes, Calorim. Anal. Therm., 1985, 16, 138-144. [all data]

Costas and Patterson, 1985
Costas, M.; Patterson, D., Heat capacities of water + organic-solvent mixtures, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 2381-2398. [all data]

Costas and Patterson, 1985, 2
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [all data]

Roux, Perron, et al., 1978
Roux, G.; Perron, G.; Desnoyers, J.E., The heat capacities and volumes of some low molecular weight amides, ketones, esters, and ethers in water over the whole solubility range, Can. J. Chem., 1978, 56, 2808-2814. [all data]

Zhdanov, 1945
Zhdanov, A.K., On the thermal capacity of some pure liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1945, 15, 895-902. [all data]

Kurnakov and Voskresenskaya, 1936
Kurnakov, N.S.; Voskresenskaya, N.K., Calorimetry of liquid binary systems, Izv. Akad. Nauk SSSR, Otdel. Mat. i Estestv. Nauk. Ser. Khim, 1936, 1936, 439-461. [all data]

Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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