Dihydro-3-(2H)-thiophenone
- Formula: C4H6OS
- Molecular weight: 102.155
- IUPAC Standard InChI: InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
- IUPAC Standard InChIKey: DSXFPRKPFJRPIB-UHFFFAOYSA-N
- CAS Registry Number: 1003-04-9
- 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: Tetrahydrothiophen-3-one; Tetrahydrothiophene-3-one; 4,5-Dihydro-3(2H)-thiophenone; 3(2H)-Thiophenone, dihydro-; 3-Oxo-2,3,4,5-tetrahydrothiophene; 3-Oxotetrahydrothiophene; 3-Thiacyclopentanone; 3-Thiophanone; Thiolan-3-one; NSC 241151; dihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one); dihydrothiophen-3(2H)-one
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -135.3 ± 2.0 | kJ/mol | Ccb | Geiseler and Sawistowsky, 1972 |
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -2848. ± 1.7 | kJ/mol | Ccb | Geiseler and Sawistowsky, 1972 |
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 448.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 50.1 ± 0.8 | kJ/mol | V | Geiseler and Sawistowsky, 1972 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 346. to 349. | 0.020 | Frinton Laboratories Inc., 1986 | BS |
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.
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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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 ΔcH°liquid Enthalpy of combustion of liquid at standard conditions 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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