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
View 3d structure (requires JavaScript / HTML 5) - 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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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -238.6 ± 0.84 | kJ/mol | Cm | Chao and Zwolinski, 1976 | ALS |
ΔfH°gas | -238.7 ± 0.96 | kJ/mol | Eqk | Buckley and Herington, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -238.0 kJ/mol; ALS |
ΔfH°gas | -238.1 | kJ/mol | Ccb | Sinke and Oetting, 1964 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
57.03 | 100. | Chao J., 1986 | p=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 |
68.98 | 150. | ||
80.20 | 200. | ||
96.12 | 273.15 | ||
101.68 ± 0.14 | 298.15 | ||
102.09 | 300. | ||
124.37 | 400. | ||
145.05 | 500. | ||
163.15 | 600. | ||
178.77 | 700. | ||
192.25 | 800. | ||
203.91 | 900. | ||
213.99 | 1000. | ||
222.69 | 1100. | ||
230.21 | 1200. | ||
236.70 | 1300. | ||
242.31 | 1400. | ||
247.17 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
113.43 ± 0.23 | 347.15 | von Geiseler G., 1973 | Experimental 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 |
115.65 ± 0.17 | 358.79 | ||
118.70 ± 0.18 | 371.90 | ||
119.03 ± 0.24 | 372.15 | ||
121.75 ± 0.18 | 385.60 | ||
124.39 ± 0.25 | 397.15 | ||
124.60 ± 0.19 | 399.55 | ||
126.98 ± 0.19 | 410.70 | ||
131.71 ± 0.26 | 432.15 | ||
138.62 ± 0.28 | 467.15 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 353. ± 1. | K | AVG | N/A | Average of 88 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 186.4 ± 0.5 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 186.5 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 186.47 | K | N/A | Andon, Counsell, et al., 1968 | Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 186.4 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.48 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.1 | K | N/A | Parks, Kennedy, et al., 1956 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 535. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42. ± 2. | bar | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.74 | mol/l | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.21 mol/l; TRC |
ρc | 3.49 | mol/l | N/A | Rosenbaum, 1951 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 34. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.3 | 352.8 | N/A | Majer and Svoboda, 1985 | |
34.6 | 309. | A | Stephenson and Malanowski, 1987 | Based on data from 294. to 342. K.; AC |
32.5 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 403. K.; AC |
31.6 | 412. | A | Stephenson and Malanowski, 1987 | Based on data from 397. to 479. K.; AC |
31.1 | 488. | A | Stephenson and Malanowski, 1987 | Based on data from 473. to 537. K.; AC |
33.9 | 330. | A,EB,GS | Stephenson and Malanowski, 1987 | Based on data from 315. to 363. K. See also Ambrose, Ellender, et al., 1975 and Collerson, Counsell, et al., 1965.; AC |
35.6 | 273. | N/A | Di Cave, Chianese, et al., 1978 | Based on data from 258. to 362. K.; AC |
33.8 | 315. | C | Geiseler, Quitzsch, et al., 1973 | AC |
33.8 ± 0.1 | 314. | C | Nickerson, Kobe, et al., 1961 | AC |
32.3 ± 0.1 | 338. | C | Nickerson, Kobe, et al., 1961 | AC |
31.3 ± 0.1 | 352. | C | Nickerson, Kobe, et al., 1961 | AC |
30.5 ± 0.1 | 363. | C | Nickerson, Kobe, et al., 1961 | AC |
30.0 ± 0.1 | 370. | C | Nickerson, Kobe, et al., 1961 | AC |
33.9 | 329. | N/A | Stull, 1947 | Based on data from 314. to 370. K.; AC |
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) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 371. | 51.87 | 0.2925 | 536.8 | Majer 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) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
314.6 to 370.6 | 3.9894 | 1150.207 | -63.904 | Nickerson, Kobe, et al., 1961 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.385 | 186.47 | Andon, Counsell, et al., 1968, 2 | DH |
8.4387 | 186.48 | Sinke and Oetting, 1964 | DH |
8.44 | 186.5 | Acree, 1991 | AC |
8.485 | 186.1 | Parks, Kennedy, et al., 1956, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.98 | 186.47 | Andon, Counsell, et al., 1968, 2 | DH |
45.25 | 186.48 | Sinke and Oetting, 1964 | DH |
45.59 | 186.1 | Parks, Kennedy, et al., 1956, 2 | DH |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 5000. | L | N/A | |
20. | 5000. | M | N/A | The data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. |
7.7 | X | N/A | Value given here as cited in missing citation. | |
6.8 | -5200. | X | N/A | |
4.1 to 7.7 | X | Howe, Mullins, et al., 1987 | Value given here as quoted by missing citation. | |
7.1 | 5800. | X | N/A | |
18. | 5700. | M | N/A | |
10. | M | N/A | Value at T = 303. K. | |
18. | M | N/A | ||
17. | X | N/A | Value given here as quoted by missing citation. | |
19. | M | N/A | ||
21. | M | Buttery, Ling, et al., 1969 | ||
7.1 | R | N/A |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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]
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]
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, 1968, 1894-7. [all data]
Sinke and Oetting, 1964, 2
Sinke, G.C.; Oetting, F.L.,
The Chemical Thermodynamic Properties of Methyl Ethyl Ketone,
J. Phys. Chem., 1964, 68, 1354-8. [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,
J. Am. Chem. Soc., 1956, 78, 56-9. [all data]
Kobe, Crawford, et al., 1955
Kobe, K.A.; Crawford, H.R.; Stephenson, R.W.,
Critical Properties and Vapor Pressures of Some Ketones,
Ind. Eng. Chem., 1955, 47, 1767-72. [all data]
Rosenbaum, 1951
Rosenbaum, M.,
, M.S. Thesis, Univ. Tex., Austin, TX, 1951. [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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones,
The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X
. [all data]
Collerson, Counsell, et al., 1965
Collerson, R.R.; Counsell, J.F.; Handley, R.; Martin, J.F.; Sprake, C.H.S.,
677. Thermodynamic properties of organic oxygen compounds. Part XV. Purification and vapour pressures of some ketones and ethers,
J. Chem. Soc., 1965, 3697, https://doi.org/10.1039/jr9650003697
. [all data]
Di Cave, Chianese, et al., 1978
Di Cave, Sergio; Chianese, Angelo; Prantera, Antonio,
Vapor-liquid equilibrium of the system methylethylketone-sec-butyl alcohol,
J. Chem. Eng. Data, 1978, 23, 4, 279-281, https://doi.org/10.1021/je60079a013
. [all data]
Geiseler, Quitzsch, et al., 1973
Geiseler, G.; Quitzsch, K.; Hofmann, H.-P.; Pfestorf, R.Z.,
Z. Phys. Chem. (Leipzig), 1973, 252, 170. [all data]
Nickerson, Kobe, et al., 1961
Nickerson, J.K.; Kobe, K.A.; McKetta, John J.,
THE THERMODYNAMIC PROPERTIES OF THE METHYL KETONE SERIES,
J. Phys. Chem., 1961, 65, 6, 1037-1043, https://doi.org/10.1021/j100824a038
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Andon, Counsell, et al., 1968, 2
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]
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, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Parks, Kennedy, et al., 1956, 2
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]
Howe, Mullins, et al., 1987
Howe, G.B.; Mullins, M.E.; Rogers, T.N.,
, Evaluation and Prediction of Henry's Law Constants and Aqueous Sol. for Solvents and Hydrocarbon Fuel Comp. NTIS Rep. ELS-86-66, 1987. [all data]
Buttery, Ling, et al., 1969
Buttery, R.G.; Ling, L.C.; Guadagni, D.G.,
Volatilities Aldehydes, Ketones, and Esters in Dilute Water Solution,
J. Agric. Food Chem., 1969, 17, 385-389. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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