4H-Thiopyran-4-one, tetrahydro-

• Formula: C₅H₈OS
• Molecular weight: 116.181
• IUPAC Standard InChI: InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2 Copy

  
• IUPAC Standard InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N Copy
• CAS Registry Number: 1072-72-6
• 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-Thiacyclohexan-4-one; 4-Thiacyclohexanone; Penthianone; Tetrahydro-1-thio-γ-pyrone; Tetrahydro-1-thio-4-pyrone; Tetrahydro-1,4-thiapyrone; Tetrahydro-4-thiopyrone; Tetrahydro-4H-thiopyran-4-one; Tetrahydrothiopyran-4-one; 2,3,5,6-Tetrahydro-4-thiopyranone; 4-Oxotetrahydrothiopyran; 4-Oxothiane; Tetrahydrothia-4-pyranone; Tetrahydro-4H-thiapyran-4-one; 4H-tetrahydrothiopyran-4-one; 4-Thianone; NSC 41599
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Gas 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

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Geiseler and Sawistowsky, 1972
Geiseler, V.G.; Sawistowsky, J., Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen. 4. Mitteilung: Bildungsenthalpien einiger Thiacyclannone, Z. Phys. Chem. (Leipzig), 1972, 250, 43-48. [all data]

Geiseler and Sawistowsky, 1972, 2
Geiseler, G.; Sawistowsky, J., Z. Phys. Chem. (Leipzig), 1972, 250, 1-2, 43. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Colonna, Distefano, et al., 1980
Colonna, F.P.; Distefano, G.; Guerra, M.; Jones, D., Photoelectron (He(I), He(II) and X-ray) spectroscopy of γ-pyrone and its related sulphur derivatives: valence and core ionization energies shake-up satellites, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 309. [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  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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