2,5-Furandione, 3-methyl-

• Formula: C₅H₄O₃
• Molecular weight: 112.0835
• IUPAC Standard InChI: InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3 Copy

  
• IUPAC Standard InChIKey: AYKYXWQEBUNJCN-UHFFFAOYSA-N Copy
• CAS Registry Number: 616-02-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Citraconic anhydride; α-Methylmaleic anhydride; Citraconic acid anhydride; Methylmaleic anhydride; Monomethylmaleic anhydride; 2-Methylmaleic anhydride; 3-Methylmaleic anhydride; 3-Methyl-2,5-furandione; Maleic anhydride, methyl-; Anhydrid kyseliny citrakonove; 2,5-Furanedione, 3-methyl; NSC 6182
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

 +  =

By formula: C₅H₄O₃ + H₂O = C₅H₆O₄

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

Conn, Kistiakowsky, et al., 1942
Conn, J.B.; Kistiakowsky, G.B.; Roberts, R.M.; Smith, E.A., Heats of organic reactions. XIII. Heats of hydrolysis of some acid anhydrides, J. Am. Chem. Soc., 1942, 64, 1747-17. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [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, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔrH°	Enthalpy of reaction at standard conditions

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