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Ethyl Acetate

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Gas 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 - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DRB - D.R. Burgess
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

QuantityValueUnitsMethodReferenceComment
Deltafgas-445.43 ± 0.84kJ/molCmWiberg, Crocker, et al., 1991ALS
Deltafgas-444.8 ± 0.4kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis; ALS
Deltafgas-443.8kJ/molN/AFenwick, Harrop, et al., 1978Value computed using «DELTA»fHliquid° value of -478.8±0.7 kj/mol from Fenwick, Harrop, et al., 1978 and «DELTA»vapH° value of 35.1 kj/mol from Wiberg and Waldron, 1991.; DRB
Deltafgas-446.9kJ/molN/AButwill and Rockenfeller, 1970Value computed using «DELTA»fHliquid° value of -482.0±4.0 kj/mol from Butwill and Rockenfeller, 1970 and «DELTA»vapH° value of 35.1 kj/mol from Wiberg and Waldron, 1991.; DRB
QuantityValueUnitsMethodReferenceComment
gas362.75J/mol*KN/AStull D.R., 1969The 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)ReferenceComment
125.82360.Connett J.E., 1976GT
131.06380.
136.22400.
142.80425.
149.47450.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K)Temperature (K)ReferenceComment
113.64298.15Stull D.R., 1969Selected values were based on extrapolation of heat capacity data [ Bennewitz K., 1938, Jatkar S.K.K., 1939] to high temperatures.; GT
113.97300.
137.40400.
161.92500.
182.63600.
199.53700.
213.43800.
224.89900.
234.511000.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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 - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

QuantityValueUnitsMethodReferenceComment
Deltafliquid-480.57 ± 0.79kJ/molCmWiberg, Crocker, et al., 1991ALS
Deltafliquid-479.86 ± 0.46kJ/molCmWiberg and Waldron, 1991Heat of hydrolysis; ALS
Deltafliquid-478.82 ± 0.73kJ/molCcbFenwick, Harrop, et al., 1978ALS
Deltafliquid-482.0 ± 4.0kJ/molCcbButwill and Rockenfeller, 1970ALS
QuantityValueUnitsMethodReferenceComment
Deltacliquid-2238.54 ± 0.48kJ/molCcbFenwick, Harrop, et al., 1978Corresponding «DELTA»fliquid = -478.82 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2235.4 ± 3.9kJ/molCcbButwill and Rockenfeller, 1970Corresponding «DELTA»fliquid = -481.95 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2256.kJ/molCcbRoth and Muller, 1929Corresponding «DELTA»fliquid = -461.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2246.kJ/molCcbGuinchant, 1918Corresponding «DELTA»fliquid = -471.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
QuantityValueUnitsMethodReferenceComment
liquid259.4J/mol*KN/AParks, Huffman, et al., 1933Extrapolation below 90 K, 62.80 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K)Temperature (K)ReferenceComment
168.94298.15Pintos, Bravo, et al., 1988DH
170.59298.32Zabransky, Hynek, et al., 1987T = 294 to 340 K. Unsmoothed experimental datum.; DH
169.30298.15Jimenez, Romani, et al., 1986DH
169.06298.15Baluja, Bravo, et al., 1985DH
169.6298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
169.6298.15Costas and Patterson, 1985, 2DH
167.4298.15Fuchs, 1979DH
169.5298.1Roux, Perron, et al., 1978T = 283 to 313 K.; DH
168.82303.61Zhdanov, 1945T = 5 to 46°C. Value is unsmoothed experimental datum.; DH
157.7290.Kurnakov and Voskresenskaya, 1936DH
169.20293.6Parks, Huffman, et al., 1933T = 92 to 294 K. Value is unsmoothed experimental datum.; DH

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
BS - R.L. Brown and S.E. Stein
AC - W.E. Acree, Jr., J.S. Chickos
DRB - D.R. Burgess
ALS - H.Y. Afeefy, J.F. Liebman, and S.E. Stein
DH - E.S. Domalski and E.D. Hearing

QuantityValueUnitsMethodReferenceComment
Tboil350.2 ± 0.2KAVGN/AAverage of 59 out of 73 values; Individual data points
QuantityValueUnitsMethodReferenceComment
Tfus190. ± 1.KAVGN/AAverage of 7 values; Individual data points
QuantityValueUnitsMethodReferenceComment
Ttriple189.3KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple189.3KN/AParks, Huffman, et al., 1933, 2Uncertainty assigned by TRC = 0.2 K; TRC
QuantityValueUnitsMethodReferenceComment
Tc530. ± 20.KAVGN/AAverage of 7 values; Individual data points
QuantityValueUnitsMethodReferenceComment
Pc38.82barN/AAmbrose, Ellender, et al., 1981Uncertainty assigned by TRC = 0.0387 bar; Visual; TRC
Pc38.30barN/AYoung, 1910Uncertainty assigned by TRC = 0.8106 bar; TRC
Pc38.517barN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.40 bar; TRC
Pc40.18barN/ANadezhdin, 1887Uncertainty assigned by TRC = 2.0265 bar; TRC
Pc42.80barN/ASajots, 1879Uncertainty assigned by TRC = 4.053 bar; TRC
QuantityValueUnitsMethodReferenceComment
rhoc3.492mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
rhoc3.497mol/lN/AYoung and Thomas, 1893Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.397mol/lN/ANadezhdin, 1887Uncertainty assigned by TRC = 0.06 mol/l; TRC
QuantityValueUnitsMethodReferenceComment
Deltavap35. ± 2.kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol)Temperature (K)MethodReferenceComment
31.94350.3N/AMajer and Svoboda, 1985 
34.1315.N/AHernández and Ortega, 1997Based on data from 300. - 390. K.; AC
35.7303.AStephenson and Malanowski, 1987Based on data from 288. - 351. K. See also Polák and Mertl, 1965 and Dykyj, 1971.; AC
36.7286.N/AAmbrose, Ellender, et al., 1981, 2Based on data from 271. - 373. K. See also Boublik, Fried, et al., 1984.; AC
34.6 ± 0.1313.CSvoboda, Uchytilová, et al., 1980AC
31.4 ± 0.1343.CSvoboda, Uchytilová, et al., 1980AC
33.8 ± 0.1326.CSvoboda, Veselý, et al., 1977AC
33.4 ± 0.1331.CSvoboda, Veselý, et al., 1977AC
32.4 ± 0.1344.CSvoboda, Veselý, et al., 1977AC
31.9 ± 0.1351.CSvoboda, Veselý, et al., 1977AC
31.0 ± 0.1363.CSvoboda, Veselý, et al., 1977AC
34.0320.N/AConnett, Counsell, et al., 1976AC
31.9350.N/AConnett, Counsell, et al., 1976AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K)A (kJ/mol)betaTc (K)ReferenceComment
298. - 363.54.260.2982523.2Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K)ABCReferenceComment
288.73 - 348.984.228091245.702-55.189Polák and Mertl, 1965Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol)Temperature (K)ReferenceComment
10.48189.3Acree, 1991AC
10.481189.3Parks, Huffman, et al., 1933DH

Entropy of fusion

DeltafusS (J/mol*K)Temperature (K)ReferenceComment
55.27189.3Parks, Huffman, et al., 1933DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

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]

Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R., Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases, J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]

Parks, Huffman, et al., 1933, 2
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, 7, 2733. [doi:10.1021/ja01334a016] [all data]

Ambrose, Ellender, et al., 1981
Ambrose, D.; Ellender, J.H.; Gundry, H.A.; Lee, D.A.; Townsend, R., Thermodynamic properties of organic oxygen compounds. LI. The vapour pressures of some esters and fatty acids, J. Chem. Thermodyn., 1981, 13, 795. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Young and Thomas, 1893
Young, S.; Thomas, G.L., The vapour pressures, molecular volumes, and critical constants of ten of the lower esters, J. Chem. Soc., 1893, 63, 1191. [all data]

Nadezhdin, 1887
Nadezhdin, A., Rep. Phys., 1887, 23, 708. [all data]

Sajots, 1879
Sajots, W., Vapor Pressures of Saturated Vapors at High Temperatures., Beibl. Ann. Phys., 1879, 3, 741-3. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Hernández and Ortega, 1997
Hernández, Pablo; Ortega, Juan, Vapor-Liquid Equilibria and Densities for Ethyl Esters (Ethanoate to Butanoate) and Alkan-2-ol (C 3 -C 4 ) at 101.32 kPa, J. Chem. Eng. Data, 1997, 42, 6, 1090-1100. [doi:10.1021/je970077b] [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987. [doi:10.1007/978-94-009-3173-2] [all data]

Polák and Mertl, 1965
Polák, J.; Mertl, I., Saturated vapour pressure of methyl acetate, ethyl acetate, n-propyl acetate, methyl propionate, and ethyl propionate, Collect. Czech. Chem. Commun., 1965, 30, 10, 3526-3528. [doi:10.1135/cccc19653526] [all data]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Ambrose, Ellender, et al., 1981, 2
Ambrose, D.; Ellender, J.H.; Gundry, H.A.; Lee, D.A.; Townsend, R., Thermodynamic properties of organic oxygen compounds LI. The vapour pressures of some esters and fatty acids, The Journal of Chemical Thermodynamics, 1981, 13, 8, 795-802. [doi:10.1016/0021-9614(81)90069-0] [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Svoboda, Uchytilová, et al., 1980
Svoboda, Václav; Uchytilová, Vera; Majer, Vladimír; Pick, Jirí, Heats of vaporization of alkyl esters of formic, acetic and propionic acids, Collect. Czech. Chem. Commun., 1980, 45, 12, 3233-3240. [doi:10.1135/cccc19803233] [all data]

Svoboda, Veselý, et al., 1977
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J., Heats of vaporization of alkyl acetates and propionates, Collect. Czech. Chem. Commun., 1977, 42, 3, 943-951. [doi:10.1135/cccc19770943] [all data]

Connett, Counsell, et al., 1976
Connett, J.E.; Counsell, J.F.; Lee, D.A., Thermodynamic properties of organic oxygen compounds XLIV. Vapour heat capacities and enthalpies of vaporization of methyl acetate, ethyl acetate, and propyl acetate, The Journal of Chemical Thermodynamics, 1976, 8, 12, 1199-1203. [doi:10.1016/0021-9614(76)90129-4] [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56. [doi:10.1016/0040-6031(91)87098-H] [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References