Oxazole

• Formula: C₃H₃NO
• Molecular weight: 69.0620
• IUPAC Standard InChI: InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H Copy

  
• IUPAC Standard InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N Copy
• CAS Registry Number: 288-42-6
• 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: 1,3-Oxazole
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

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

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

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Phase change 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Soulie, Bares, et al., 1975
Soulie, M.A.; Bares, D.; Metzger, J., Vapor Pressures of Some Azaaromatic Compounds, C. R. Seances Acad. Sci., Ser. C, 1975, 281, 341. [all data]

McCormick and Hamilton, 1978
McCormick, D.G.; Hamilton, W.S., The enthalpies of combustion and formation of oxazole and isoxazole, J. Chem. Thermodyn., 1978, 10, 275-278. [all data]

McCormick, 1977
McCormick, D.G., The resonance energies of oxazole and isoxazole determined from the enthalpies of combustion and formation (Order No. 7801771), Diss. Abstr. Int. B, 1977, 38, 4271. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [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]

Kobayashi, Kubota, et al., 1982
Kobayashi, T.; Kubota, T.; Ezumi, K.; Utsunomiya, C., Photoelectron angular distribution study of some isoxazoles combined with perturbation theoretic approach, Bull. Chem. Soc. Jpn., 1982, 55, 3915. [all data]

Audier, Fetizon, et al., 1976
Audier, H.-E.; Fetizon, M.; Henry, Y.; Prange, T., Mecanismes de fragmentation de l'oxazole, Org. Mass Spectrom., 1976, 11, 1047. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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