Acetone
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
- CAS Registry Number: 67-64-1
- 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. - Isotopologues:
- Other names: 2-Propanone; β-Ketopropane; Dimethyl ketone; Dimethylformaldehyde; Methyl ketone; Propanone; Pyroacetic ether; (CH3)2CO; Dimethylketal; Ketone propane; Ketone, dimethyl-; Chevron acetone; Rcra waste number U002; UN 1090; Sasetone; Propan-2-one; NSC 135802
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- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 85
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
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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 | -249.4 ± 0.63 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1772. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºliquid = -267. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1804.2 | kJ/mol | Ccb | Emery and Benedict, 1911 | Corresponding ΔfHºliquid = -233.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 200.4 | J/mol*K | N/A | Kelley, 1929 | DH |
S°liquid | 200.0 | J/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 54.0 J/mol*K. Revision of previous data.; DH |
S°liquid | 220.5 | J/mol*K | N/A | Parks and Kelley, 1928 | Extrapolation below 70 K, 60.04 J/mol*K.; DH |
S°liquid | 217.6 | J/mol*K | N/A | Parks and Kelley, 1925 | Extrapolation below 90 K, 71.63 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
125.45 | 298.15 | Malhotra and Woolf, 1991 | T = 278 to 323 K. Cp(liq) = 1.337 + 2.7752x10-3(T/K) kJ/kg*K (278.15 to 323.15 K).; DH |
123.80 | 298.15 | Costas, Yao, et al., 1989 | DH |
126.6 | 298.15 | Petrov, Peshekhodov, et al., 1989 | T = 258.15, 278.15, 298.15, 318.15 K.; DH |
126.6 | 298.15 | Al'per, Peshekhodov, et al., 1986 | DH |
123.8 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
123.8 | 298.15 | Costas and Patterson, 1985, 2 | DH |
125.9 | 298.15 | Saluja, Peacock, et al., 1979 | DH |
129.7 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
126.3 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 333 K.; DH |
125.56 | 298.2 | Low and Moelwyn-Hughes, 1962 | T = 253 to 308 K.; DH |
128.24 | 298. | Staveley, Tupman, et al., 1955 | T = 288 to 323 K.; DH |
128.4 | 302.4 | Phillip, 1939 | DH |
124.7 | 298. | Trew and Watkins, 1933 | DH |
124.7 | 298. | Trew, 1932 | DH |
124.68 | 296.99 | Kelley, 1929 | T = 16 to 298 K. Value is unsmoothed experimental datum.; DH |
124.3 | 260. | Mitsukuri and Hara, 1929 | T = 200 to 260 K.; DH |
123.8 | 298.4 | Parks and Kelley, 1928 | T = 70 to 289 K. Value is unsmoothed experimental datum.; DH |
124.7 | 289.4 | Parks and Kelley, 1925 | T = 70 to 290 K. Value is unsmoothed experimental datum.; DH |
125.9 | 293.2 | Williams and Daniels, 1925 | T = 20 to 40°C.; DH |
121.3 | 283. | Bramley, 1916 | Mean value, 0 to 20°C.; DH |
133.9 | 298. | von Reis, 1881 | T = 289 to 352 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
96. | 173. | Maass and Walbauer, 1925 | T = 93 to 173 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- GAS (VAPOR); PERKIN-ELMER 21 (GRATING); DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-420 CM-1); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1); BECKMAN IR-7 (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.
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]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G.,
The heat of combustion of compounds of physiological importance,
Am. J. Physiol., 1911, 28, 301-307. [all data]
Kelley, 1929
Kelley, K.K.,
The heats capacities of isopropyl alcohol and acetone from 16 to 298 °K and the corresponding entropies and free energies,
J. Am. Chem. Soc., 1929, 51, 1145-1150. [all data]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]
Parks and Kelley, 1928
Parks, G.S.; Kelley, K.K.,
The application of the third law of thermodynamics to some organic reactions,
J. Phys. Chem., 1928, 32, 734-750. [all data]
Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K.,
Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds,
J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]
Malhotra and Woolf, 1991
Malhotra, R.; Woolf, L.A.,
Thermodynamic properties of propanone (acetone) at temperatures from 278 K to 323 K and pressures up to 400 Mpa,
J. Chem. Thermodynam., 1991, 23, 867-876. [all data]
Costas, Yao, et al., 1989
Costas, M.; Yao, Z.; Patterson, D.,
Complex formation and self-association in ternary mixtures, J. Chem. Soc.,
Faraday Trans., 1989, 1 85(8), 2211-2227. [all data]
Petrov, Peshekhodov, et al., 1989
Petrov, A.N.; Peshekhodov, P.B.; Al'per, G.A.,
Heat capacity of non-aqueous solutions of non-electrolyts with N,N-dimethylformamide as a base, Sbornik Nauch. Trud., Termodin. Rast. neelect., Ivanovo,
Inst. nevod. rast., 1989, Akad. [all data]
Al'per, Peshekhodov, et al., 1986
Al'per, G.A.; Peshekhodov, P.B.; Nikiforov, M.Yu.; Petrov, A.N.; Krestov, G.A.,
Specific heats and features of the intermolecular interactions in the system chloroform-acetone,
Zhur. Obshchei Khim., 1986, 56(8), 1688-1691. [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]
Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R.,
Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents,
J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]
Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G.,
Heat capacities at constant volume, free volumes, and rotational freedom in some liquids,
Aust. J. Chem., 1971, 24, 1817-1822. [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]
Low and Moelwyn-Hughes, 1962
Low, D.I.R.; Moelwyn-Hughes, E.A.,
The heat capacities of acetone, methyl iodide and mixtures thereof in the liquid state,
Proc. Roy. Soc. (London), 1962, A267, 384-394. [all data]
Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R.,
Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide,
Trans. Faraday Soc., 1955, 51, 323-342. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]
Trew and Watkins, 1933
Trew, V.C.G.; Watkins, G.M.C.,
Some physical properties of mixtures of certain organic liquids,
Trans. Faraday Soc., 1933, 29, 1310-1318. [all data]
Trew, 1932
Trew, V.C.G.,
Physical properties of mixtures of acetone and bromoform,
Trans. Faraday Soc., 1932, 28, 509-514. [all data]
Mitsukuri and Hara, 1929
Mitsukuri, S.; Hara, K.,
Specific heats of acetone, methyl-, ethyl-, and n-propyl-alcohols at low temperatures,
Bull. Chem. Soc. Japan, 1929, 4, 77-81. [all data]
Williams and Daniels, 1925
Williams, J.W.; Daniels, F.,
The specific heats of binary mixtures,
J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]
Bramley, 1916
Bramley, A.,
The study of binary mixtures. Part IV. Heats of reaction and specific heats,
J. Chem. Soc. (London), 1916, 109, 496-515. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Maass and Walbauer, 1925
Maass, O.; Walbauer, L.J.,
The specific heats and latent heats of fusion of ice and of several organic compounds,
J. Am. Chem. Soc., 1925, 47, 1-9. [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 Cp,solid Constant pressure heat capacity of solid 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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