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
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,3-Thiazole
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

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

Ionization energy determinations

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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.

Soulie, Goursot, et al., 1969
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
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]

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, 2
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, 2
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, 3
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, 4
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]

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

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  S°liquid	Entropy of liquid at standard conditions
  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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