3-Penten-2-one

• Formula: C₅H₈O
• Molecular weight: 84.1164
• IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3 Copy

  
• IUPAC Standard InChIKey: LABTWGUMFABVFG-UHFFFAOYSA-N Copy
• CAS Registry Number: 625-33-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • (Z)-pent-3-en-2-one
  • 3-Penten-2-one, (E)-
  • (Z)-3-Penten-2-one
• Other names: Ethylidene acetone; Methyl propenyl ketone; Methyl 1-propenyl ketone; 2-Oxo-3-pentene; (E)-CH3CH=CHC(=O)CH3; 3-Pentene-2-one; Pent-3-en-2-one
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Condensed 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

Phase change 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: Robert L. Brown and Stephen E. Stein

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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.

Clopatt, 1932
Clopatt, J.A., Eine neue Methode zur Bestimmung der Verbrennungswarme fluchtiger Stoffe, Soc. Scient. Fenn. Commentat. Phys. Math., 1932, 6, 1-15. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Masclet and Mouvier, 1978
Masclet, P.; Mouvier, G., Etude par spectrometrie photoelectronique d'aldehydes et de cetones ethyleniques conjugues, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 77. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions

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