Thioxanthone
- Formula: C13H8OS
- Molecular weight: 212.267
- IUPAC Standard InChI: InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
- IUPAC Standard InChIKey: YRHRIQCWCFGUEQ-UHFFFAOYSA-N
- CAS Registry Number: 492-22-8
- 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: 9H-Thioxanthen-9-one; Thioxanthen-9-one; Thiaxanthenone; Thiaxanthon; Thiaxanthone; Thioxanthene-9-one; Thioxanthene, 9-oxo-; Thioxanthenone; 9-Thioxanthone; 9H-Thioxanthene, 9-oxo-; 10-Thioxanthone; NSC 15912; NSC 658181
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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 | 22.5 ± 0.86 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | Published also in Calorim. Anal. Therm. 23,477 1992 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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°solid | -4.90 ± 0.86 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | Published also in Calorim. Anal. Therm. 23,477 1992 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1634.9 ± 0.84 | kcal/mol | Ccr | Sabbah and El Watik, 1992 | Published also in Calorim. Anal. Therm. 23,477 1992 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 487.88 | K | N/A | Sabbah and Watik, 1992 | Uncertainty assigned by TRC = 0.02 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 27.440 ± 0.098 | kcal/mol | C | Sabbah and El Watik, 1992 | Published also in Calorim. Anal. Therm. 23,477 1992; ALS |
| ΔsubH° | 27.44 ± 0.1 | kcal/mol | C | Sabbah and Watik, 1992, 2 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 645.2 | 0.941 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.4847 | 487.88 | Sabbah and El Watik, 1992, 2 | DH |
| 8.48 | 487.9 | Sabbah and Watik, 1992, 2 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-6865 |
| NIST MS number | 230899 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Lang (editor), 1971 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 19034 |
| Instrument | Unicam SP 700 |
| Melting point | 210-216 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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, 1992
Sabbah, R.; El Watik, L.,
Etude thermodynamique de l'acridone et de la thioxanthone,
Can. J. Chem., 1992, 70, 24-28. [all data]
Sabbah and Watik, 1992
Sabbah, R.; Watik, L.E.,
Can. J. Chem., 1992, 70, 24. [all data]
Sabbah and Watik, 1992, 2
Sabbah, Raphaël; Watik, Lahcen El,
Étude thermodynamique de l'acridone et de la thioxanthone,
Can. J. Chem., 1992, 70, 1, 24-28, https://doi.org/10.1139/v92-005
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Sabbah and El Watik, 1992, 2
Sabbah, R.; El Watik, L.,
Etude thermodynamique de l'aridone et de la thioxanthone,
Calorim. Anal. Therm., 1992, 23, 477-478. [all data]
Lang (editor), 1971
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region., 1971, 15, 291. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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