Benzyl sulfone

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Gas 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
Δfgas-37.55 ± 0.76kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -36.0 ± 0.6 kcal/mol; Haet of combustion corrected for pressure

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
Δfsolid-67.55 ± 0.29kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -63.3 ± 0.2 kcal/mol; Haet of combustion corrected for pressure
Quantity Value Units Method Reference Comment
Δcsolid-1871.33 ± 0.24kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -1875.55 ± 0.05 kcal/mol; Haet of combustion corrected for pressure

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tfus422.7KN/AKaldor and Hammond, 1991Uncertainty assigned by TRC = 1. K; TRC
Tfus425.KN/AJarvis, Hoey, et al., 1988Uncertainty assigned by TRC = 3. K; TRC
Tfus402.KN/AOlah and Gupta, 1983Uncertainty assigned by TRC = 2. K; TRC
Tfus425.KN/ABoehme and Sitorus, 1972Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δsub27.3 ± 0.5kcal/molVMackle and O'Hare, 1961Haet of combustion corrected for pressure; ALS

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

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

Additional Data

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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

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


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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Mass 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
NIST MS number 343155

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Fehnel and Carmack, 1949
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. 10018
Instrument n.i.g.
Melting point 152
Boiling point 290 dec

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Mackle and O'Hare, 1961
Mackle, H.; O'Hare, P.A.G., Studies in the thermochemistry of sulphones. Part 6 - Heats of combustion, fusion, vaporization and atomization of six aromatic and two allylic sulphones, Trans. Faraday Soc., 1961, 57, 1521-1526. [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]

Kaldor and Hammond, 1991
Kaldor, S.W.; Hammond, M., A Mild Osmium Tetraoxide-Catalyzed Method for the Oxidation of Sulfides to Sulfones, Tetrahedron Lett., 1991, 32, 5043-6. [all data]

Jarvis, Hoey, et al., 1988
Jarvis, W.T.; Hoey, M.D.; Finocchio, A.L.; Dittmar, D.C., Organic reactions of Reduced Species of Sulfur Dioxide, J. Org. Chem., 1988, 53, 5750-6. [all data]

Olah and Gupta, 1983
Olah, G.A.; Gupta, B.G.B., Onium Ions 27. Oxidation of Sulfoxides to Sulfones with Nitronium Salts, J. Org. Chem., 1983, 48, 3585-7. [all data]

Boehme and Sitorus, 1972
Boehme, V.H.; Sitorus, U., Oxidation of Thioethers to Sulfones with Hydrogen Peroxide in Alkaline Solution, Chem.-Ztg., 1972, 96, 37-8. [all data]

Fehnel and Carmack, 1949
Fehnel, E.A.; Carmack, M., J. Am. Chem. Soc., 1949, 71, 231. [all data]


Notes

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