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2-Butanone

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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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-57.02 ± 0.20kcal/molCmChao and Zwolinski, 1976ALS
Deltafgas-57.05 ± 0.23kcal/molEqkBuckley and Herington, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -56.89 kcal/mol; ALS
Deltafgas-56.90kcal/molCcbSinke and Oetting, 1964ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
13.63100.Chao J., 1986p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT
16.49150.
19.17200.
22.97273.15
24.302 ± 0.033298.15
24.400300.
29.725400.
34.668500.
38.994600.
42.727700.
45.949800.
48.736900.
51.1451000.
53.2241100.
55.0221200.
56.5731300.
57.9131400.
59.0751500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
27.110 ± 0.055347.15von Geiseler G., 1973Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT
27.641 ± 0.041358.79
28.370 ± 0.043371.90
28.449 ± 0.057372.15
29.099 ± 0.043385.60
29.730 ± 0.060397.15
29.780 ± 0.045399.55
30.349 ± 0.045410.70
31.479 ± 0.062432.15
33.131 ± 0.067467.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry 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 - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-65.31 ± 0.29kcal/molCcbSinke and Oetting, 1964ALS
Deltafliquid-66.68kcal/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-584.17kcal/molCcbSinke and Oetting, 1964Corresponding «DELTA»fliquid = -65.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-582.80kcal/molCcbParks, Mosley, et al., 1950see Moore, Renquist, et al., 1940; Corresponding «DELTA»fliquid = -66.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-582.28 ± 0.37kcal/molCcbCrog and Hunt, 1942Corresponding «DELTA»fliquid = -67.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid57.12cal/mol*KN/AAndon, Counsell, et al., 1968DH
liquid57.079cal/mol*KN/ASinke and Oetting, 1964DH
liquid57.70cal/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 53.47 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
38.0298.15Malhotra and Woolf, 1992T = 278 to 338 K. p = 0.1 MPa.; DH
38.77303.15Reddy, 1986T = 303.15, 313.15 K.; DH
37.86298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
37.86298.15Costas and Patterson, 1985, 2DH
37.741298.15Grolier and Benson, 1984DH
37.86298.1Roux, Perron, et al., 1978T = 277 to 313 K.; DH
38.05298.15Grolier, Benson, et al., 1975DH
37.93298.15Andon, Counsell, et al., 1968T = 10 to 320 K.; DH
37.76293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
37.980298.15Sinke and Oetting, 1964T = 13 to 308 K.; DH
37.861298.15Parks, Kennedy, et al., 1956T = 80 to 300 K.; DH
38.41297.0Kolosovskii and Udovenko, 1934DH
38.41297.0de Kolossowsky and Udowenko, 1933DH

References

Go To: Top, Gas phase thermochemistry data, 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.

Chao and Zwolinski, 1976
Chao, J.; Zwolinski, B.J., Ideal gas thermodynamic properties of propanone and 2-butanone, J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Sinke and Oetting, 1964
Sinke, G.C.; Oetting, F.L., The chemical thermodynamic properties of methyl ethyl ketone, J. Phys. Chem., 1964, 68, 1354-1358. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Sinke G.C., 1964
Sinke G.C., The chemical thermodynamic properties of methyl ethyl ketone, J. Phys. Chem., 1964, 68, 1354-1358. [all data]

Chao J., 1976
Chao J., Ideal gas thermodynamic properties of propanone and 2-butanone, J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]

Nickerson J.K., 1961
Nickerson J.K., The thermodynamic properties of the methyl ketone series, J. Phys. Chem., 1961, 65, 1037-1043. [all data]

von Geiseler G., 1973
von Geiseler G., The heat capacity and the heat of vaporization of isomeric butylmethylketones and propylacetates, Z. Phys. Chem. (Leipzig), 1973, 252, 170-176. [all data]

Vilcu R., 1975
Vilcu R., Determination of heat capacities of some alcohols and ketones in vapor phase, Rev. Roum. Chim., 1975, 20, 603-609. [all data]

Kabo G.J., 1995
Kabo G.J., Thermodynamic properties, conformation, and phase transitions of cyclopentanol, J. Chem. Thermodyn., 1995, 27, 953-967. [all data]

Bennewitz K., 1938
Bennewitz K., Molar heats of vapor organic compounds, Z. Phys. Chem. (Leipzig), 1938, B39, 126-144. [all data]

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S., Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins, J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]

Crog and Hunt, 1942
Crog, R.S.; Hunt, H., Heats of combustion. II. The heats of combustion of ethyl methyl ketone and ethylene oxide, J. Phys. Chem., 1942, 46, 1162-1163. [all data]

Andon, Counsell, et al., 1968
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XX. The low-temperature heat capacity and entropy of C4 and C5 ketones, J. Chem. Soc. A, 1968, 1894-1897. [all data]

Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [all data]

Malhotra and Woolf, 1992
Malhotra, R.; Woolf, L.A., Thermodynamic properties of butan-2-one at temperatures from 278 to 338 K and pressures from 0.1 MPa to 280 MPa; predictions for higher ketones, J. Chem. Thermodynam., 1992, 24, 1207-1217. [all data]

Reddy, 1986
Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [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]

Grolier and Benson, 1984
Grolier, J.-P.E.; Benson, G.C., Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K, Can. J. Chem., 1984, 62, 949-953. [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]

Grolier, Benson, et al., 1975
Grolier, J-P.E.; Benson, G.C.; Picker, P., Simultaneous measurements of heat capacities and densities of organic liquid mixtures-systems containing ketones, J. Chem. Eng. Data, 1975, 20, 243-246. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]


Notes

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