3-Penten-2-one, 4-methyl-

• Formula: C₆H₁₀O
• Molecular weight: 98.1430
• IUPAC Standard InChI: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 Copy

  
• IUPAC Standard InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N Copy
• CAS Registry Number: 141-79-7
• 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.
• Other names: Acetone, isopropylidene-; Isobutenyl methyl ketone; Isopropylideneacetone; Mesityl oxide; Methyl isobutenyl ketone; Methyl 2-methyl-1-propenyl ketone; 4-Methyl-3-penten-2-one; (CH3)2C=CHC(=O)CH3; Methyl 2,2-dimethylvinyl ketone; 4-Methyl-3-pentene-2-one; 2-Methylpent-2-en-4-one; 2-Methyl-2-penten-4-one; Mesityloxid; Mesityloxyde; MIBK; Ossido di mesitile; Oxyde de mesityle; 3-Isohexen-2-one; 4-Methyl-3-penten-2-on; 4-Methylpent-3-en-2-one; 4-Metil-3-penten-2-one; 2-Methyl-2-pentenone-4; UN 1229; 2-Methyl-4-oxo-2-pentene; 2,2-Dimethylvinyl methyl ketone; NSC 38717; 4-methyl-3-penten-2-one (mesityl oxide)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

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

Enthalpy of vaporization

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of fusion

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.

Stross, Monger, et al., 1947
Stross, F.H.; Monger, J.M.; Finch, H. deV., Isolation and Purification of the Two Isomers of Mesityl Oxide, J. Am. Chem. Soc., 1947, 69, 1627-8. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic Properties and Ideal-Gas Enthalpies of FOrmation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, (Z)-5-Ethylidene-2- norbornene, Mesityl Oxide (4-Methyl-3-pentene-2-one), 4-M, J. Chem. Eng. Data, 1997, 42, 1053-66. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2'-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane), J. Chem. Eng. Data, 1997, 42, 1052-1066. [all data]

Steele, Chirico, et al., 1997, 3
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, ( Z )-5-Ethylidene-2-norbornene, Mesityl Oxide (4-Methyl-3-penten-2-one), 4-Methylpent-1-ene, 2,2'-Bis(phenylthio)propane, and Glycidyl Phenyl Ether (1,2-Epoxy-3-phenoxypropane), J. Chem. Eng. Data, 1997, 42, 6, 1053-1066, https://doi.org/10.1021/je970099y . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Messerly, Finke, et al., 1975
Messerly, J.F.; Finke, H.L.; Osborn, A.G.; Douslin, D.R., Low-temperature calorimetric and vapor-pressure studies on alkanediamines, J. Chem. Thermodynam., 1975, 7, 1029-1046. [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]

Stross, Monger, et al., 1947, 2
Stross, F.H.; Monger, J.M.; Finch, H. de V., The Isolation and Purification of Two Isomers of Mesityl Oxide, J. Am. Chem. Soc., 1947, 69, 7, 1627-1628, https://doi.org/10.1021/ja01199a016 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Louguinine, 1898
Louguinine, W., Ann. Chim. (Paris), 1898, 7, 334. [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]

Borgen, Borgen, et al., 1975
Borgen, Gerd; Borgen, Gerd; Dale, Johannes; Gaupset, Gudmund; Schroll, G.; Altona, C., Syntheses and Conformations of Monomeric and Dimeric Cyclic Dimethylketals., Acta Chem. Scand., 1975, 29b, 265-272, https://doi.org/10.3891/acta.chem.scand.29b-0265 . [all data]

Notes

Go To: Top, Phase change data, References

• Symbols used in this document:
  

  Pc	Critical pressure
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy 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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.