1-Methyl-4(1H)-pyridinone

• Formula: C₆H₇NO
• Molecular weight: 109.1259
• IUPAC Standard InChI: InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: OYPBUQASUUMJKG-UHFFFAOYSA-N Copy
• CAS Registry Number: 695-19-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • 1-methyl-4(1H)-pyridinone
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₇NO⁺ (ion structure unspecified)

Ionization energy determinations

De-protonation reactions

C₆H₆NO^- +  =

By formula: C₆H₆NO^- + H⁺ = C₆H₇NO

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.

Beak, Bonham, et al., 1968
Beak, P.; Bonham, J.; Lee, J.T., Jr., Equilibration studies. The energy differences for some six-membered heterocyclic methyl amide-imidate isomer paris, J. Am. Chem. Soc., 1968, 90, 1569-1582. [all data]

Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K., Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines, Org. Mass Spectrom., 1972, 6, 823. [all data]

Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G., Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure, J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [all data]

Gronert, Feng, et al., 2000
Gronert, S.; Feng, W.Y.; Chew, F.; Wu, W.M., The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: relevance to the mechanism of orotidine-5 '-monophosphate decarboxylase, Int. J. Mass Spectrom., 2000, 196, 251-258, https://doi.org/10.1016/S1387-3806(99)00191-8 . [all data]

Notes

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• Symbols used in this document:
  

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

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