Thioxanthene
- Formula: C13H10S
- Molecular weight: 198.283
- IUPAC Standard InChIKey: PQJUJGAVDBINPI-UHFFFAOYSA-N
- CAS Registry Number: 261-31-4
- 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-Thioxanthene; Dibenzothiapyran; Thiaxanthen; Thiaxanthene; Thioxanthen; 10H-dibenzo[b,e]thiin
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Phase change data
Go To: Top, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 401.7 | K | N/A | Coon, Sediawan, et al., 1988 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.6 ± 0.62 | kcal/mol | ME | Freitas, Monte, et al., 2009 | Based on data from 383. to 447. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 24.31 ± 0.38 | kcal/mol | C | Freitas, Monte, et al., 2009 | AC |
ΔsubH° | 24.12 ± 0.05 | kcal/mol | ME | Freitas, Monte, et al., 2009 | Based on data from 339. to 402. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.6 ± 0.05 | 415. | ME | Freitas, Monte, et al., 2009 | Based on data from 383. to 447. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.5 ± 0.05 | 370. | ME | Freitas, Monte, et al., 2009 | Based on data from 339. to 402. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.24 | 401.8 | Acree, 1991 | AC |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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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: 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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 113423 |
UV/Visible spectrum
Go To: Top, Phase change data, IR Spectrum, 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.
Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Source | missing citation |
---|---|
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. 9016 |
Instrument | Beckman DK 2 |
Melting point | 128.5 |
Boiling point | 341 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Coon, Sediawan, et al., 1988
Coon, J.E.; Sediawan, W.B.; Auwaerter, J.E.; McLaughlin, E.,
Solubilities of families of heterocyclic polynuclear aromatics in organic solvents and their mixtures,
J. Solution Chem., 1988, 17, 519. [all data]
Freitas, Monte, et al., 2009
Freitas, Vera L.S.; Monte, Manuel J.S.; Santos, Luis M.N.B.F.; Gomes, Jose R.B.; Ribeiro da Silva, Maria D.M.C.,
Energetic Studies and Phase Diagram of Thioxanthene,
J. Phys. Chem. A, 2009, 113, 46, 12988-12994, https://doi.org/10.1021/jp906413y
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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