Thioxanthene
- Formula: C13H10S
- Molecular weight: 198.283
- IUPAC Standard InChI: InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Phase change data
Go To: Top, 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° | 77.8 ± 2.6 | kJ/mol | ME | Freitas, Monte, et al., 2009 | Based on data from 383. to 447. K.; AC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 101.7 ± 1.6 | kJ/mol | C | Freitas, Monte, et al., 2009 | AC |
| ΔsubH° | 100.9 ± 0.2 | kJ/mol | ME | Freitas, Monte, et al., 2009 | Based on data from 339. to 402. K.; AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 69.5 ± 0.2 | 415. | ME | Freitas, Monte, et al., 2009 | Based on data from 383. to 447. K.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 98.4 ± 0.2 | 370. | ME | Freitas, Monte, et al., 2009 | Based on data from 339. to 402. K.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 26.1 | 401.8 | Acree, 1991 | AC |
Mass spectrum (electron ionization)
Go To: Top, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
| 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, 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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.