- Formula: C8H6S
- Molecular weight: 134.198
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N
- CAS Registry Number: 95-15-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Thianaphthene; Benzothiofuran; Benzothiophen; Thianaphtene; Thianaphthen; Thionaphthene; 1-Benzothiophene; 1-Thiaindene; 2,3-Benzothiophene; Benzothiophene; NSC 47196
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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
|fH°solid||24.04 ± 0.11||kcal/mol||Cm||Sabbah, 1979||ALS|
|fH°solid||24.11 ± 0.22||kcal/mol||Ccr||Good, 1972||ALS|
|cH°solid||-1125.29 ± 0.19||kcal/mol||Ccr||Good, 1972||ALS|
|S°solid,1 bar||42.330||cal/mol*K||N/A||Finke, Gross, et al., 1954||DH|
Constant pressure heat capacity of solid
|Cp,solid (cal/mol*K)||Temperature (K)||Reference||Comment|
|41.142||295.859||Chirico, Knipmeyer, et al., 1991||crystaline, I phase; T = 277 to 495 K. Unsmoothed experimental datum. Cp(liq, 298.15 K, smoothed, graphical extrapolation) = 188.17 J/mol*K.; DH|
|38.960||298.15||Finke, Gross, et al., 1954||T = 12 to 335 K.; DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Sabbah, R., Thermodynamique de substances soufrees. I. Etude thermochimique du benzo-2,3 thiophene et du dibenzothiophene, Bull. Soc. Chim. France, 1979, 9, 434-437. [all data]
Good, W.D., Enthalpies of combustion of 18 organic sulfur compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 158-162. [all data]
Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Benzothiophene: heat capacity, heat of transition, heat of fusion and entropy. An order-disorder transition, J. Am. Chem. Soc., 1954, 76, 854-857. [all data]
Chirico, Knipmeyer, et al., 1991
Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Steele, W.V., The thermodynamic properties of benzo[b]thiophene, J. Chem. Thermodyn., 1991, 23, 759-779. [all data]
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) cH°solid Enthalpy of combustion of solid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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