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Benzenemethanethiol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas22.26 ± 0.27kcal/molCcrGood, 1972 
Deltafgas20.96 ± 0.48kcal/molCcrMackle and McClean, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 21.9 ± 0.6 kcal/mol

Condensed phase thermochemistry data

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid8.73 ± 0.26kcal/molCcrGood, 1972 
Deltafliquid10.50 ± 0.50kcal/molCcrMackle and McClean, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 9.55 ± 0.48 kcal/mol
Quantity Value Units Method Reference Comment
Deltacliquid-1084.23 ± 0.24kcal/molCcrGood, 1972Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1084.12 ± 0.24 kcal/mol
Deltacliquid-1086.07 ± 0.48kcal/molCcrMackle and McClean, 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -1083.95 ± 0.48 kcal/mol

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil467.7KN/AWeast and Grasselli, 1989BS
Tboil468.KN/AAmerican Tokyo Kasei, 1988BS
Tboil467.15KN/AHoffmann, Ess, et al., 1956Uncertainty assigned by TRC = 2. K; TRC
Tboil467.KN/AZinner, 1953Uncertainty assigned by TRC = 3. K; TRC
Tboil468.KN/ABacker and Dijkstra, 1932Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltavap13.53 ± 0.05kcal/molVGood, 1972ALS
Deltavap13.5kcal/molN/AGood, 1972DRB
Deltavap13.5 ± 0.02kcal/molN/AGood, 1972AC
Deltavap12.3 ± 0.4kcal/molEMackle and McClean, 1962ALS
Deltavap10.5kcal/molN/AMackle and McClean, 1962DRB

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
11.4409.Dykyj, Svoboda, et al., 1999Based on data from 394. - 436. K.; AC

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, 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

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Mass spectrum
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Additional Data

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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-3729
NIST MS number 233945

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, Gas phase thermochemistry data, 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.

Good, 1972
Good, W.D., Enthalpies of combustion of 18 organic sulfur compounds related to petroleum, J. Chem. Eng. Data, 1972, 17, 158-162. [all data]

Mackle and McClean, 1962
Mackle, H.; McClean, R.T.B., Studies in the thermochemistry of organic sulphides. Part 4.-Heat of formation of the mercaptyl radical, Trans. Faraday Soc., 1962, 58, 895-899. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [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]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Hoffmann, Ess, et al., 1956
Hoffmann, F.W.; Ess, R.J.; Simmons, T.C.; Hanzel, R.S., The Desulfurization of Mercaptans with Trialkyl Phosphites, J. Am. Chem. Soc., 1956, 78, 6414. [all data]

Zinner, 1953
Zinner, H., Perparation of Mercaptans, Chem. Ber., 1953, 86, 825. [all data]

Backer and Dijkstra, 1932
Backer, H.J.; Dijkstra, N.D., The Thioethers of Pentaerythritol, Recl. Trav. Chim. Pays-Bas, 1932, 51, 289. [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]


Notes

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