Thianthrene
- Formula: C12H8S2
- Molecular weight: 216.322
- 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, Gas phase ion energetics 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:
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 |
Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.8 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.7 | PE | Traven', Redchenko, et al., 1981 | LLK |
7.80 ± 0.03 | EI | Nounou, 1966 | RDSH |
7.9 | CTS | Kuboyama, 1964 | RDSH |
7.93 | PE | Traven', Redchenko, et al., 1981 | Vertical value; LLK |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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]
Traven', Redchenko, et al., 1981
Traven', V.F.; Redchenko, V.V.; Eismont, M.Y.; Stepanov, B.I.,
Photoelectron spectra and electronic and steric structures of silicon and sulfur-containing analogs of 9,10-dihydroanthracene,
J. Gen. Chem. USSR, 1981, 51, 1099, In original 1297. [all data]
Nounou, 1966
Nounou, P.,
Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle,
J. Chim. Phys., 1966, 63, 994. [all data]
Kuboyama, 1964
Kuboyama, A.,
Molecular complexes and their spectra. XVII.The iodine and the chloranil complexes with thianthrene analogs,
J. Am. Chem. Soc., 1964, 86, 164. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy 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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