Pentanoic acid, 4-oxo-

• Formula: C₅H₈O₃
• Molecular weight: 116.1152
• IUPAC Standard InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) Copy

  
• IUPAC Standard InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N Copy
• CAS Registry Number: 123-76-2
• 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: Levulinic acid; β-Acetylpropionic acid; γ-Ketovaleric acid; Laevulinic acid; Levulic acid; 3-Acetylpropionic acid; 4-Ketovaleric acid; 4-Oxopentanoic acid; 4-Oxovaleric acid; Acetopropionic acid; LEVA; Propionic acid, 3-acetyl-; USAF CZ-1; Valeric acid, 4-oxo-; Valeric acid, 4-oxo-(levulinic acid); Laevulic acid; Acetylpropionic acid; NSC 3716; 4-Oxo-pentanoic acid (levulinic acid)
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Reaction 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: John E. Bartmess

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

C₅H₇O₃^- +  =

By formula: C₅H₇O₃^- + H⁺ = C₅H₈O₃

Gas phase ion energetics 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: John E. Bartmess

De-protonation reactions

C₅H₇O₃^- +  =

By formula: C₅H₇O₃^- + H⁺ = C₅H₈O₃

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

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

• gas

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.

Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R., Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions, Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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