2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- 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: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -273.3 ± 1.2 | kJ/mol | Ccb | Sinke and Oetting, 1964 | ALS |
ΔfH°liquid | -279.0 | kJ/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2444.2 | kJ/mol | Ccb | Sinke and Oetting, 1964 | Corresponding ΔfHºliquid = -273.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2438.4 | kJ/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; Corresponding ΔfHºliquid = -278.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2436.3 ± 1.5 | kJ/mol | Ccb | Crog and Hunt, 1942 | Corresponding ΔfHºliquid = -281.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 239.0 | J/mol*K | N/A | Andon, Counsell, et al., 1968 | DH |
S°liquid | 238.82 | J/mol*K | N/A | Sinke and Oetting, 1964 | DH |
S°liquid | 241.4 | J/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 53.47 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
159. | 298.15 | Malhotra and Woolf, 1992 | T = 278 to 338 K. p = 0.1 MPa.; DH |
162.2 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
158.4 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
158.4 | 298.15 | Costas and Patterson, 1985, 2 | DH |
157.91 | 298.15 | Grolier and Benson, 1984 | DH |
158.4 | 298.1 | Roux, Perron, et al., 1978 | T = 277 to 313 K.; DH |
159.2 | 298.15 | Grolier, Benson, et al., 1975 | DH |
158.7 | 298.15 | Andon, Counsell, et al., 1968 | T = 10 to 320 K.; DH |
158.0 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
158.91 | 298.15 | Sinke and Oetting, 1964 | T = 13 to 308 K.; DH |
158.41 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
160.7 | 297.0 | Kolosovskii and Udovenko, 1934 | DH |
160.7 | 297.0 | de Kolossowsky and Udowenko, 1933 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (23 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-250 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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