4-Pyridinecarbonitrile, 1-oxide

• Formula: C₆H₄N₂O
• Molecular weight: 120.1088
• IUPAC Standard InChI: InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H Copy

  
• IUPAC Standard InChIKey: QNCSFBSIWVBTHE-UHFFFAOYSA-N Copy
• CAS Registry Number: 14906-59-3
• 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: 4-Cyanopyridine-N-oxide; Isonicotinonitrile, 1-oxide; 4-Cyanopyridine oxide; 4-Cyanopyridine 1-oxide
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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: William E. Acree, Jr., James S. Chickos

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

View reactions leading to C₆H₄N₂O⁺ (ion structure unspecified)

Ionization energy determinations

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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, Phase change data, 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.

Ribeiro da Silva, 1998
Ribeiro da Silva, M., Enthalpies of combustion of the pyridine N-oxide derivatives: 4-methyl-, 3-cyano-, 4-cyano-, 3-hydroxy-, 2-carboxy-, 4-carboxy-, and 3-methyl-4-nitro, and of the pyridine derivatives: 2-carboxy-, and 4-carboxy-. The dissociation enthalpies of the N-O bonds, The Journal of Chemical Thermodynamics, 1998, 30, 7, 869-878, https://doi.org/10.1006/jcht.1998.0353 . [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]

Maier and Muller, 1974
Maier, J.P.; Muller, J.-F., Ionisation energies of pyridine N-oxides determined by photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1991. [all data]

Notes

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

• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

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