3,6-Diphenyl-1,2-dithiin
- Formula: C16H12S2
- Molecular weight: 268.396
- IUPAC Standard InChI: InChI=1S/C16H12S2/c1-3-7-13(8-4-1)15-11-12-16(18-17-15)14-9-5-2-6-10-14/h1-12H
- IUPAC Standard InChIKey: TWFJKRAZUIJOSQ-UHFFFAOYSA-N
- CAS Registry Number: 16212-85-4
- Chemical structure:
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 100.95 ± 0.87 | kcal/mol | Ccb | Geiseler and Sawistowsky, 1973 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 101.1 kcal/mol |
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°solid | -2259.8 | kcal/mol | Ccb | Geiseler and Sawistowsky, 1973 |
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:
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° | 43.76 ± 0.60 | kcal/mol | N/A | Geiseler and Sawistowsky, 1973, 2 | See also Pedley and Rylance, 1977.; AC |
| ΔsubH° | 43.77 ± 0.60 | kcal/mol | V | Geiseler and Sawistowsky, 1973 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 41.7 ± 0.6 kcal/mol; ALS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 41.71 ± 0.60 | 355. | Geiseler and Sawistowsky, 1973, 2 | See also Pedley and Rylance, 1977.; AC |
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, 1973
Geiseler, G.; Sawistowsky, J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen. 7. Mitteilung: Bildungsenthalpie des 3,6-Diphenyldithiins,
Z. Phys. Chem. (Leipzig), 1973, 253, 333-336. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Geiseler and Sawistowsky, 1973, 2
Geiseler, G.; Sawistowsky, J.,
Z. Phys. Chem. (Leipzig), 1973, 253, 333. [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
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- 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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