2,4-Pentanedione, 3-methyl-

• Formula: C₆H₁₀O₂
• Molecular weight: 114.1424
• IUPAC Standard InChI: InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 Copy

  
• IUPAC Standard InChIKey: GSOHKPVFCOWKPU-UHFFFAOYSA-N Copy
• CAS Registry Number: 815-57-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Methylacetylacetone; 3-Methyl-2,4-pentanedione; 3-Acetylbutan-2-one; 3-methylpentane-2,4-dione
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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

Conrath, Van de Sande, et al., 1974
Conrath, k.; Van de Sande, C.; Vandewalle, M., Studies in organic mass spectrometry. XVI. A combined approach to the structures of ions generated from the molecular ions of acyclic β-diketones through loss of small neutral molecules, Org. Mass Spectrom., 1974, 9, 585-593. [all data]

Ribeiro da Silva, Ferrao, et al., 1992
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Monte, M.J.S.; Esteves da Silva, R.M.G.; Ribeiro, J.C., Standard enthalpies of formation of 3-methylpentane-2,4-dione and of bis(3-methylpentane-2,4-dionato)copper(II): the mean (Cu-O) bond-dissociation enthalpy, J. Chem. Thermodyn., 1992, 24, 585-594. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References

• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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