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:
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
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Condensed phase thermochemistry data

Go To: Top, References, Notes

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

Go To: Top, Condensed phase thermochemistry data, References

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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.