Thianthrene
- Formula: C12H8S2
- Molecular weight: 216.322
- IUPAC Standard InChI: InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
- IUPAC Standard InChIKey: GVIJJXMXTUZIOD-UHFFFAOYSA-N
- CAS Registry Number: 92-85-3
- 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: Thianthren; Thiaanthrene; 9,10-Dithiaanthracene
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Condensed phase thermochemistry data
Go To: Top, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 44.6 ± 1.1 | kcal/mol | Ccb | Sabbah and El Watik, 1989 | ALS |
| ΔfH°solid | 44.03 ± 0.36 | kcal/mol | Ccr | Johnson, 1975 | ALS |
| ΔfH°solid | 43.64 ± 0.32 | kcal/mol | Ccr | Sunner, 1963 | See Sunner, 1962; ALS |
| ΔfH°solid | 43.32 ± 0.56 | kcal/mol | Ccr | Hubbard, Katz, et al., 1954 | Heat of combustion calculated author's U=-1730.01; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1733. ± 3. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 55.184 | cal/mol*K | N/A | Steele, Chirico, et al., 1993 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 52.622 | 298.15 | Steele, Chirico, et al., 1993 | T = 5 to 700 K.; DH |
| 53.769 | 298.15 | Sabbah and Watik, 1989 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and El Watik, 1989
Sabbah, R.; El Watik, L.,
Etude thermodynamique de la molecule de thianthrene,
Thermochim. Acta, 1989, 138, 241-247. [all data]
Johnson, 1975
Johnson, W.H.,
The enthalpies of combustion and formation of thianthrene,
J. Res. NBS, 1975, 79, 561-564. [all data]
Sunner, 1963
Sunner, S.,
Corrected heat of combustion and formation values for a number of organic sulphur compounds,
Acta Chem. Scand., 1963, 17, 728-730. [all data]
Sunner, 1962
Sunner, S.,
Corrected heat of combustion and formation values for a number of organic sulphur compounds,
Private communication, 1962, 1-4. [all data]
Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G.,
A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds,
J. Phys. Chem., 1954, 58, 142. [all data]
Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
The thermodynamic properties of thianthrene and phenoxathiin,
J. Chem. Thermodyn., 1993, 25, 965-992. [all data]
Sabbah and Watik, 1989
Sabbah, R.; Watik, L.E.,
Etude thermodynamique de la molecule de thanthrene,
Thermochim. Acta, 1989, 138, 241-247. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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