Thiazole

• Formula: C₃H₃NS
• Molecular weight: 85.128
• IUPAC Standard InChI: InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H Copy

  
• IUPAC Standard InChIKey: FZWLAAWBMGSTSO-UHFFFAOYSA-N Copy
• CAS Registry Number: 288-47-1
• 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-Thiazole
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • IR Spectrum
  • UV/Visible spectrum
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change data

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

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of fusion

Entropy of fusion

Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

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

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.

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]

Meyer and Metzger, 1966
Meyer, R.; Metzger, J., C. R. Acad. Sci. Paris, Ser. C, 1966, 263, 1333. [all data]

Soulie, Goursot, et al., 1969
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Thermodynamic properties of thiazole, J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 603-6. [all data]

Goursot and Westrum, 1968
Goursot, P.; Westrum, E.F., Heat capacity and thermodynamic functions of thiazole from 5 to 340 K, J. Chem. Eng. Data, 1968, 13, 471. [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]

Soulie, Goursot, et al., 1969, 2
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., J. Chim. Phys. Phys.-Chim. Biol., 1969, 66, 4, 603. [all data]

Soulie, Goursot, et al., 1969, 3
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Proprietes Thermochimiques du Thiazole, J. Chim. Phys. Phys. Chim. Biol., 1969, 66, 603-610. [all data]

Soulie, Goursot, et al., 1969, 4
Soulie, M.A.; Goursot, P.; Peneloux, A.; Metzger, J., Properties thermochimiques du thiazole, J. chim. Phys. physicochim. Biol., 1969, 66, 603-606. [all data]

Goursot and Westrum, 1968, 2
Goursot, P.; Westrum, E.F., Jr., Heat capacity and thermodynamic functions of thiazole from 5 to 340K, J. Chem. Eng. Data, 1968, 13, 471-475. [all data]

Goursot, Westrum, et al., 1968
Goursot, P.; Westrum, E.F., Jr.; Metzger, J., C. R. Acad. Sci. Paris, Ser. C, 1968, 266, 590. [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]

Daamen, Oskam, et al., 1979
Daamen, H.; Oskam, A.; Stufkens, D.J.; Waaijers, H.W., Bonding properties of group VIB metal pentacarbonyl azole complexes studied by electronic absorption, photoelectron, ¹³C NMR and vibrational spectroscopy, Inorg. Chim. Acta, 1979, 34, 253. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization

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