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Methyl Isobutyl Ketone

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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-291.2 ± 1.4kJ/molCcbDubois and Herzog, 1972ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
180.50 ± 0.27394.30von Geiseler G., 1973GT
182.26 ± 0.27399.44
184.31 ± 0.28405.15
186.06 ± 0.28410.70
187.90 ± 0.28415.75

Condensed 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-381.5kJ/molCcbTavernier and Lamouroux, 1956Author's hf298_condensed=-94.26 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3694.6kJ/molCcbTavernier and Lamouroux, 1956Author's hf298_condensed=-94.26 kcal/mol; Corresponding «DELTA»fsolid = -381.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
211.9298.15Vesely, Barcal, et al., 1989T = 298.15 to 318.15 K.; DH

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
Tboil389. ± 2.KAVGN/AAverage of 59 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus189.15KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tc575.5KN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 0.5 K; TRC
Tc574.6KN/AAmbrose and Ghiassee, 1988Uncertainty assigned by TRC = 0.5 K; Visual, compound stable but equipment not sensitive to temp; TRC
Tc571.KN/AMajer and Svoboda, 1985 
Tc571.KN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 1.11 K; TRC
Quantity Value Units Method Reference Comment
Pc33.90barN/AQuadri and Kudchadker, 1991Uncertainty assigned by TRC = 0.20 bar; TRC
Pc32.70barN/AAmbrose and Ghiassee, 1988Uncertainty assigned by TRC = 0.05 bar; Visual, compound stable but equipment not sensitive to temp; TRC
Pc32.80barN/AKobe, Crawford, et al., 1955Uncertainty assigned by TRC = 0.965 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap40.65kJ/molN/AMajer and Svoboda, 1985 
Deltavap40.56kJ/molVUchytilova, Majer, et al., 1983ALS
Deltavap42.5 ± 0.1kJ/molCUchytilova, Majer, et al., 1983AC
Deltavap41.0kJ/molN/AAmbrose, Ellender, et al., 1975Based on data from 282. - 456. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
40.610388.9N/ASvoboda, Kubes, et al., 1992Value corrected to 298.15 K.; DH
34.49389.4N/AMajer and Svoboda, 1985 
38.7336.N/AMartínez, Lladosa, et al., 2009Based on data from 321. - 397. K.; AC
40.1 ± 0.1308.CSvoboda, Kubes, et al., 1992AC
39.0 ± 0.1323.CSvoboda, Kubes, et al., 1992AC
38.0 ± 0.1338.CSvoboda, Kubes, et al., 1992AC
37.4 ± 0.1348.CSvoboda, Kubes, et al., 1992AC
39.2324.N/AAmbrose, Ghiassee, et al., 1988Based on data from 309. - 416. K.; AC
42.5296.AStephenson and Malanowski, 1987Based on data from 281. - 400. K.; AC
41.2309.AStephenson and Malanowski, 1987Based on data from 294. - 390. K. See also Fuge, Bowden, et al., 1952.; AC
37.0365.EBReddy, Rao, et al., 1985Based on data from 349. - 389. K.; AC
37.6347.CGeiseler, Quitzsch, et al., 1973AC

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) beta Tc (K) Reference Comment
298. - 389.58.410.2883571.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 - 389.33.952981254.095-71.537Fuge, Bowden, et al., 1952Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

4-Methyl-2-pentanone dimethylacetal + Water = Methyl Isobutyl Ketone + 2Methyl Alcohol

By formula: C8H18O2 + H2O = C6H12O + 2CH4O

Quantity Value Units Method Reference Comment
Deltar13.74 ± 0.054kJ/molCmWiberg and Squires, 1979liquid phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118841

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Dubois and Herzog, 1972
Dubois, J.-E.; Herzog, H., Heats of formation of aliphatic ketones: Structure correlation based on environment treatment, J. Chem. Soc. Chem. Commun., 1972, 932-933. [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]

Tavernier and Lamouroux, 1956
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt-six substances organiques, Mem. Poudres, 1956, 38, 65-88. [all data]

Vesely, Barcal, et al., 1989
Vesely, F.; Barcal, P.; Zabransky, M.; Svoboda, V., Heat capacities of 4-methyl-2-pentanone, 2,6-dimethyl-4-heptanone, 1-hexanol, 1-heptanol, and 1-octanol in the temperature range 298-318 K, Collect. Czech. Chem. Commun., 1989, 54, 602-607. [all data]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

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]

Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R., Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects, J. Am. Chem. Soc., 1979, 101, 5512-5515. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References