2,6-Diphenyl-thiacyclohexanone-4
- Formula: C17H16OS
- Molecular weight: 268.373
- IUPAC Standard InChI: InChI=1S/C17H16OS/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2
- IUPAC Standard InChIKey: PPJHHCQGZVIWAR-UHFFFAOYSA-N
- CAS Registry Number: 37014-01-0
- Chemical structure:
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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 | 84.1 ± 7.4 | kJ/mol | Ccb | Geiseler and Sawistowsky, 1972 |
Condensed phase thermochemistry data
Go To: Top, Gas 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 |
|---|---|---|---|---|---|
| ΔcH°solid | -9518.6 ± 6.7 | kJ/mol | Ccb | Geiseler and Sawistowsky, 1972 | |
| ΔcH°solid | -9491.8 ± 9.7 | kJ/mol | Ccb | Arndt, Martin, et al., 1935 | Unpublished results Lorenz and Sternitzke |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 144. ± 3. | kJ/mol | ME | Geiseler and Sawistowsky, 1972, 2 | See also Pedley and Rylance, 1977.; AC |
| ΔsubH° | 144.0 | kJ/mol | V | Geiseler and Sawistowsky, 1972 | ALS |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 136. | 375. | ME | Geiseler and Sawistowsky, 1972, 2 | AC |
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]
Arndt, Martin, et al., 1935
Arndt, F.; Martin, G.T.O.; Partington, J.R.,
133. Studies in dielectric polarisation. Part XII. Dipole moments and structure of thiopyrones and related compounds.,
J. Chem. Soc., 1935, 602-604. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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