Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Thianthrene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid44.6 ± 1.1kcal/molCcbSabbah and El Watik, 1989ALS
Deltafsolid44.03 ± 0.36kcal/molCcrJohnson, 1975ALS
Deltafsolid43.64 ± 0.32kcal/molCcrSunner, 1963See Sunner, 1962; ALS
Deltafsolid43.32 ± 0.56kcal/molCcrHubbard, Katz, et al., 1954Heat of combustion calculated author's U=-1730.01; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1733. ± 3.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar55.184cal/mol*KN/ASteele, Chirico, et al., 1993DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
52.622298.15Steele, Chirico, et al., 1993T = 5 to 700 K.; DH
53.769298.15Sabbah and Watik, 1989DH

Phase change data

Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil639.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus429.KN/AMayer, Howell, et al., 1990Uncertainty assigned by TRC = 1. K; TRC
Tfus429.85KN/ACullinane and Rees, 1940Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple429.570KN/ASteele, Chirico, et al., 1993, 2Uncertainty assigned by TRC = 0.002 K; TRC
Ttriple428.43KN/ASabbah and El Watik, 1989, 2Uncertainty assigned by TRC = 0.38 K; TRC
Quantity Value Units Method Reference Comment
Deltasub23.75 ± 0.13kcal/molCSabbah and El Watik, 1989ALS
Deltasub23.8 ± 0.1kcal/molN/ASabbah and El Watik, 1989AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
477.20.014Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
17.0444.N/ADykyj, Svoboda, et al., 1999Based on data from 429. - 460. K.; AC
16.3475.N/ADykyj, Svoboda, et al., 1999Based on data from 460. - 539. K.; AC
17.4440.EB,IPSteele, Chirico, et al., 1993Based on data from 395. - 639. K.; AC
16.7480.EB,IPSteele, Chirico, et al., 1993Based on data from 395. - 639. K.; AC
16.1520.EB,IPSteele, Chirico, et al., 1993Based on data from 395. - 639. K.; AC
15.4560.EB,IPSteele, Chirico, et al., 1993Based on data from 395. - 639. K.; AC
14.7600.EB,IPSteele, Chirico, et al., 1993Based on data from 395. - 639. K.; AC
16.5465.N/ASivaraman and Kobayashi, 1983Based on data from 430. - 593. K.; AC
16.4515.N/ASivaraman and Kobayashi, 1983Based on data from 430. - 593. K.; AC
17.0438.GSEdwards and Prausnitz, 1981Based on data from 428. - 448. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
24.76 ± 0.1350.IPSteele, Chirico, et al., 1993AC
23.6 ± 0.1353.N/ASabbah and El Watik, 1989Based on data from 338. - 368. K.; AC
23.4393.GSEdwards and Prausnitz, 1981Based on data from 358. - 428. K.; AC
23.3 ± 1.5353.HSASandman, Epstein, et al., 1979Based on data from 338. - 368. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
6.58583429.576Steele, Chirico, et al., 1993DH
6.585429.6Steele, Chirico, et al., 1993AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, 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.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR 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.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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.

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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 63109

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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, 1989
Sabbah, R.; El Watik, L., Etude thermodynamique de la molecule de thianthrene, Thermochim. Acta, 1989, 138, 241-247. [all data]

Johnson, 1975
Johnson, W.H., The enthalpies of combustion and formation of thianthrene, J. Res. NBS, 1975, 79, 561-564. [all data]

Sunner, 1963
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Acta Chem. Scand., 1963, 17, 728-730. [all data]

Sunner, 1962
Sunner, S., Corrected heat of combustion and formation values for a number of organic sulphur compounds, Private communication, 1962, 1-4. [all data]

Hubbard, Katz, et al., 1954
Hubbard, W.N.; Katz, C.; Waddington, G., A rotating combustion bomb for precision calorimetry. Heats of combustion of some sulfur-containing compounds, J. Phys. Chem., 1954, 58, 142. [all data]

Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of thianthrene and phenoxathiin, J. Chem. Thermodyn., 1993, 25, 965-992. [all data]

Sabbah and Watik, 1989
Sabbah, R.; Watik, L.E., Etude thermodynamique de la molecule de thanthrene, Thermochim. Acta, 1989, 138, 241-247. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Mayer, Howell, et al., 1990
Mayer, M.M.; Howell, W.J.; Tomasko, D.L.; Eckert, C.A., Solid-solid Equilibria in the Systems Thianthrene + Phenanthrene, Salicylic Acid + Phenanthrene, and 3-Hydroxybenzoic Acid + Phenanthrene, J. Chem. Eng. Data, 1990, 35, 446. [all data]

Cullinane and Rees, 1940
Cullinane, N.M.; Rees, W.T., Isomorphous relationships of some organic compounds of analogous constitution, Trans. Faraday Soc., 1940, 36, 507. [all data]

Steele, Chirico, et al., 1993, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., The thermodynamic properties of thianthrene and phenoxathiin, J. Chem. Thermodyn., 1993, 25, 965-92. [all data]

Sabbah and El Watik, 1989, 2
Sabbah, R.; El Watik, L., Thermodynamic study of the thianthrene molecule, Thermochim. Acta, 1989, 138, 241. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Sivaraman and Kobayashi, 1983
Sivaraman, Alwarappa; Kobayashi, Riki, Vapor pressures and enthalpies of vaporization of thianthrene, acridine, and 9-methylanthracene at elevated temperatures, The Journal of Chemical Thermodynamics, 1983, 15, 12, 1127-1135, https://doi.org/10.1016/0021-9614(83)90003-4 . [all data]

Edwards and Prausnitz, 1981
Edwards, D.R.; Prausnitz, J.M., Vapor pressures of some sulfur-containing, coal-related compounds, J. Chem. Eng. Data, 1981, 26, 2, 121-124, https://doi.org/10.1021/je00024a005 . [all data]

Sandman, Epstein, et al., 1979
Sandman, D.J.; Epstein, A.J.; Chickos, J.S.; Ketchum, J.; Fu, J.S.; Scheraga, H.A., Crystal lattice and polarization energy of tetrathiafulvalene, J. Chem. Phys., 1979, 70, 1, 305, https://doi.org/10.1063/1.437191 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References