Methyl Isobutyl Ketone

• Formula: C₆H₁₂O
• Molecular weight: 100.1589
• IUPAC Standard InChI: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N Copy
• 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:
  • 2-Pentanone, 4-methyl-1,1,1,3,3-d5-
• 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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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change data

Go To: Top, 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 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

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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IR Spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

• GAS (7 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm^-1 resolution

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

• gas

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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Additional Data

References

Go To: Top, Phase change 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.

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, IR Spectrum, Mass spectrum (electron ionization), 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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