Dihydro-2(3H)-thiophenone

• Formula: C₄H₆OS
• Molecular weight: 102.155
• IUPAC Standard InChI: InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2 Copy

  
• IUPAC Standard InChIKey: KMSNYNIWEORQDJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 1003-10-7
• Chemical structure:
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• Other names: γ-Thiobutyrolactone; 4-Butyrothiolactone; 2(3H)-Thiophenone, dihydro-; 2-Thiophenone, tetrahydro-; 2-Oxothiolane; Tetrahydro-2-thiophenone; Thiacyclopentan-2-one; Thiacyclopentanone-2; 4-Thiobutyrolactone; Thiolan-2-one; 2-Oxotetrahydrothiophene; NSC 54087
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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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

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Reduced pressure boiling point

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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Additional Data

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, polar column, temperature ramp

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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.

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]

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]

Guntert, Brüning, et al., 1990
Guntert, M.; Brüning, J.; Emberger, R.; Köpsel, Ml; Kuhn, W.; Thielmann, T.; Werkhoff, P., Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems, J. Agric. Food Chem., 1990, 38, 11, 2027-2041, https://doi.org/10.1021/jf00101a007 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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