4-Cyclopentene-1,3-dione

• Formula: C₅H₄O₂
• Molecular weight: 96.0841
• IUPAC Standard InChI: InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2 Copy

  
• IUPAC Standard InChIKey: MCFZBCCYOPSZLG-UHFFFAOYSA-N Copy
• CAS Registry Number: 930-60-9
• 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-Cyclopentene-1,4-dione; 2-Cyclopenten-1,4-dione; 4-Cyclopenten-1,3-dione; Cyclopent-2-en-1,4-dione; Cyclopent-2-ene-1,4-dione; cyclopenten-1,4-dione; cyclopent-4-ene-1,3-dione
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Paul and Kebarle, 1989
Paul, G.; Kebarle, P., Electron Affinities of Cyclic Unsaturated Dicarbonyls: Maleic Anhydrides, Maleimides, and Cyclopentendione, J. Am. Chem. Soc., 1989, 111, 2, 464, https://doi.org/10.1021/ja00184a009 . [all data]

Gleiter, Dobler, et al., 1982
Gleiter, R.; Dobler, W.; Eckert-Maksic, M., The electronic structure of o-tropoquinone, p-tropoquinone, and cyclopentene-1,2,3-trione - PE spectroscopic investigations, Nouv. J. Chim., 1982, 6, 123. [all data]

Bain and Frost, 1973
Bain, A.D.; Frost, D.C., Studies of the carbonyl group in some five-membered ring compounds by photoelectron spectroscopy, Can. J. Chem., 1973, 51, 1245. [all data]

Burgers, Holmes, et al., 1982
Burgers, P.C.; Holmes, J.L.; Lossing, F.P.; Mommers, A.A.; Povel, F.R.; Terlouw, J.K., Isomeric and tautomeric [C₄H₄O]⁺ ions. Their thermochemistry and collisionally induced fragmentation characteristics, Can. J. Chem., 1982, 60, 2246. [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

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