2,4-Pentanedione, 3-(1-methylethyl)-

• Formula: C₈H₁₄O₂
• Molecular weight: 142.1956
• IUPAC Standard InChI: InChI=1S/C8H14O2/c1-5(2)8(6(3)9)7(4)10/h5,8H,1-4H3 Copy

  
• IUPAC Standard InChIKey: BPIHCIRSGQKCLT-UHFFFAOYSA-N Copy
• CAS Registry Number: 1540-38-1
• 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: 2,4-Pentanedione, 3-isopropyl-; Isopropylacetylacetone; 3-Isopropyl-2,4-pentanedione; 3-(1-Methylethyl)pentane-2,4-dione
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• Information on this page:
  • Gas phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

References

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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]

Notes

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• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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