Methyl Isobutyl Ketone
- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N
- CAS Registry Number: 108-10-1
- 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-Pentanone, 4-methyl-; Hexone; Isobutyl methyl ketone; Isopropylacetone; MIBK; MIK; 2-Methyl-4-pentanone; 2-Methylpropyl methyl ketone; 4-Methyl-2-oxopentane; 4-Methyl-2-pentanone; iso-C4H9COCH3; 4-Methylpentan-2-one; Hexon; Isobutyl-methylketon; Ketone, isobutyl methyl; Methyl-isobutyl-cetone; Methylisobutylketon; Metilisobutilchetone; Metyloizobutyloketon; 4-Methyl-pentan-2-on; 4-Methyl-2-pentanon; 4-Metilpentan-2-one; Rcra waste number U161; Shell MIBK; UN 1245; ethyl iso-butyl ketone; 2-Methyl-4-pentanal; Methyl-2-pentanon,4-; Methyl i-butyl ketone; NSC 5712; 4-methyl-2-pentanone (MIBK; methyl isobutyl ketone)
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Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 389. ± 2. | K | AVG | N/A | Average of 58 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 575.5 | K | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 574.6 | K | N/A | Ambrose and Ghiassee, 1988 | Uncertainty assigned by TRC = 0.5 K; Visual, compound stable but equipment not sensitive to temp; TRC |
Tc | 571. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 571. | K | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 1.11 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.90 | bar | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Pc | 32.70 | bar | N/A | Ambrose and Ghiassee, 1988 | Uncertainty assigned by TRC = 0.05 bar; Visual, compound stable but equipment not sensitive to temp; TRC |
Pc | 32.80 | bar | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.965 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40.65 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 40.56 | kJ/mol | V | Uchytilova, Majer, et al., 1983 | ALS |
ΔvapH° | 42.5 ± 0.1 | kJ/mol | C | Uchytilova, Majer, et al., 1983 | AC |
ΔvapH° | 41.0 | kJ/mol | N/A | Ambrose, Ellender, et al., 1975 | Based on data from 282. to 456. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.610 | 388.9 | N/A | Svoboda, Kubes, et al., 1992 | Value corrected to 298.15 K.; DH |
34.49 | 389.4 | N/A | Majer and Svoboda, 1985 | |
38.7 | 336. | N/A | Martínez, Lladosa, et al., 2009 | Based on data from 321. to 397. K.; AC |
40.1 ± 0.1 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
39.0 ± 0.1 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
38.0 ± 0.1 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
37.4 ± 0.1 | 348. | C | Svoboda, Kubes, et al., 1992 | AC |
39.2 | 324. | N/A | Ambrose, Ghiassee, et al., 1988 | Based on data from 309. to 416. K.; AC |
42.5 | 296. | A | Stephenson and Malanowski, 1987 | Based on data from 281. to 400. K.; AC |
41.2 | 309. | A | Stephenson and Malanowski, 1987 | Based on data from 294. to 390. K. See also Fuge, Bowden, et al., 1952.; AC |
37.0 | 365. | EB | Reddy, Rao, et al., 1985 | Based on data from 349. to 389. K.; AC |
37.6 | 347. | C | Geiseler, Quitzsch, et al., 1973 | 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 389. | 58.41 | 0.2883 | 571. | 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 |
---|---|---|---|---|---|
294.9 to 389.3 | 3.95298 | 1254.095 | -71.537 | Fuge, Bowden, et al., 1952 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quadri and Kudchadker, 1991
Quadri, S.K.; Kudchadker, A.P.,
Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable esters, ketones, and ethers,
J. Chem. Thermodyn., 1991, 23, 129-34. [all data]
Ambrose and Ghiassee, 1988
Ambrose, D.; Ghiassee, N.B.,
Vapor Pressure and Critical Temperature and Critical Pressure of 4-Methylpentan-2-one,
J. Chem. Thermodyn., 1988, 20, 767. [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]
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]
Uchytilova, Majer, et al., 1983
Uchytilova, V.; Majer, V.; Svoboda, V.; Hynek, V.,
Enthalpies of vaporization and cohesive enrgies for seven aliphatic ketones,
J. Chem. Thermodyn., 1983, 15, 853-858. [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]
Svoboda, Kubes, et al., 1992
Svoboda, V.; Kubes, V.; Basarova, P.,
Enthalpies of vaporization and cohesive energies of hexan-2-one, 2-methylpentan-4-one, 2,2-dimethylbutan-3-one, 2,6-dimethylheptan-4-one and cyclohexanone,
J. Chem. Thermodynam., 1992, 24, 333-336. [all data]
Martínez, Lladosa, et al., 2009
Martínez, Nelson F.; Lladosa, Estela; Burguet, MªCruz; Montón, Juan B.; Yazimon, Marlen,
Isobaric vapour--liquid equilibria for the binary systems 4-methyl-2-pentanone+1-butanol and+2-butanol at 20 and 101.3kPa,
Fluid Phase Equilibria, 2009, 277, 1, 49-54, https://doi.org/10.1016/j.fluid.2008.11.012
. [all data]
Ambrose, Ghiassee, et al., 1988
Ambrose, D.; Ghiassee, N.B.; Tuckerman, R.,
Vapour pressure and critical temperature and critical pressure of 4-methylpentan-2-one,
The Journal of Chemical Thermodynamics, 1988, 20, 6, 767-768, https://doi.org/10.1016/0021-9614(88)90030-4
. [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]
Fuge, Bowden, et al., 1952
Fuge, E.T.J.; Bowden, S.T.; Jones, W.J.,
Some Physical Properties of Diacetone Alcohol, Mesityl Oxide and Methyl Isobutyl Ketone,
J. Phys. Chem., 1952, 56, 8, 1013-1016, https://doi.org/10.1021/j150500a022
. [all data]
Reddy, Rao, et al., 1985
Reddy, K. Dayananda; Rao, M.V. Prabhakara; Ramakrishna, M.,
Activity coefficients and excess Gibbs free energies for the systems isobutyl methyl ketone(1)-1-pentanol(2) and isobutyl methyl ketone(1)-1-hexanol (2),
J. Chem. Eng. Data, 1985, 30, 4, 394-397, https://doi.org/10.1021/je00042a008
. [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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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