Quinazoline

• Formula: C₈H₆N₂
• Molecular weight: 130.1466
• IUPAC Standard InChI: InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H Copy

  
• IUPAC Standard InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N Copy
• CAS Registry Number: 253-82-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Phenmiazine; 1,3-Benzodiazine; 1,3-Diazanaphthalene; 4.5-Benzopyrimidine; Benzo(e)pyrimidine
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase 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

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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of sublimation

Enthalpy of fusion

Temperature of phase transition

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

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

Ribeiro da Silva and Matos, 1995
Ribeiro da Silva, M.A.V.; Matos, M.A.R., Thermochemical and theoretical studies of some benzodiazines, J. Chem. Soc. Faraday Trans., 1995, 91, 1907-1910. [all data]

Hussein and Akasheh, 1985
Hussein, A.; Akasheh, T.S., Heat of combustion of heterocyclic compounds. Part II., Dirasat - Univ. Jordan, 1985, 12, 65-72. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Sabbah and Pemenzi, 1993
Sabbah, R.; Pemenzi, O., Energetics of intermolecular bonds in the three diazines: phthalazine, quinazoline and quinoxaline, C. R. Acad. Sci. Paris, Ser. II, 1993, 317, 5, 575. [all data]

Lipkind, Hanshaw, et al., 2009
Lipkind, Dmitri; Hanshaw, William; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds, J. Chem. Eng. Data, 2009, 54, 10, 2930-2943, https://doi.org/10.1021/je900034d . [all data]

Sabbah and Pemenzi, 1993, 2
Sabbah, R.; Pemenzi, O., Energetique des liaisons intermoleculaires dans les molecules de phthalazine, quinazoline, and quinoxaline, Compt. Rend. Acad. Sci. Paris, Series II, 1993, 317, 575-581. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttrs	Temperature of phase transition
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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