Diphenyl sulfoxide

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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
Δfgas107. ± 3.kJ/molCcrMackle and O'Hare, 1961 

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 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
Δfsolid10. ± 1.0kJ/molCcrMackle and O'Hare, 1961ALS
Quantity Value Units Method Reference Comment
Δcsolid-6763.4 ± 0.4kJ/molCcrMackle and O'Hare, 1961ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
239.7298.5Smith and Andrews, 1931T = 102 to 323 K. Value is unsmoothed experimental datum.; DH

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
Tfus344.KN/ADyer, Harris, et al., 1982Uncertainty assigned by TRC = 3. K; TRC
Tfus343.KN/AVenier, Squires, et al., 1982Uncertainty assigned by TRC = 3. K; TRC
Tfus342.15KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 1.5 K; by Hg thermometer; TRC
Tfus342.55KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 0.6 K; by thermocouple; TRC
Quantity Value Units Method Reference Comment
Δsub97. ± 3.kJ/molVMackle and O'Hare, 1961ALS

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:


Reaction 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Lithium ion (1+) + Diphenyl sulfoxide = (Lithium ion (1+) • Diphenyl sulfoxide)

By formula: Li+ + C12H10OS = (Li+ • C12H10OS)

Quantity Value Units Method Reference Comment
Δr234.kJ/molCIDCBuncel, Decouzon, et al., 1997 

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.3PEBock and Solouki, 1974LLK
9.02 ± 0.05EIDistefano, Foffani, et al., 1971LLK
9.02EIDistefano, Foffani, et al., 1971, 2LLK
8.58PEBock and Solouki, 1974Vertical value; LLK

Ion clustering 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: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Lithium ion (1+) + Diphenyl sulfoxide = (Lithium ion (1+) • Diphenyl sulfoxide)

By formula: Li+ + C12H10OS = (Li+ • C12H10OS)

Quantity Value Units Method Reference Comment
Δr234.kJ/molCIDCBuncel, Decouzon, et al., 1997 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


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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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 MASS SPECTROMETRY CENTER, UNIV. OF UTAH; ALDRICH P03540-5
NIST MS number 52676

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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Source Lang (editor), 1963
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. 19676
Instrument SF-4
Melting point 70

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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 sulphoxides. Part 1 - The gas-phase heats of formation of diethyl, di-n-propyl, t-butyl ethyl, allyl ethyl and diphenyl sulphoxides, Trans. Faraday Soc., 1961, 57, 2219-2224. [all data]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. II. Phenyl derivatives of metals, J. Am. Chem. Soc., 1931, 53, 3661-3667. [all data]

Dyer, Harris, et al., 1982
Dyer, J.C.; Harris, D.L.; Evans, S.A., Oxygen-17 Nulcear Magnetic RFesonacne SPtroscopy of Sulfoxides and Sulfones. Alkyl Substituent Induced Chemical Shifts, J. Org. Chem., 1982, 47, 3660-4. [all data]

Venier, Squires, et al., 1982
Venier, C.G.; Squires, T.G.; Chen, Y. -Y; Hussmann, G.P.; Shei, J. C>; Smith, G.F., Peroxyfluoroacetic Acid. A Convenient Reagent for the Preparation of Sulfoxides and Sulfones, J. Org. Chem., 1982, 47, 3773-4. [all data]

Smith and Andrews, 1931, 2
Smith, R.H.; Andrews, D.H., Thermal Energy Studies II. Phenyl Derivatives of Metals, J. Am. Chem. Soc., 1931, 53, 3661-7. [all data]

Buncel, Decouzon, et al., 1997
Buncel, E.; Decouzon, M.; Formento, A.; Gal, J.-F.; Herreros, M.; Li, L.; Maria, P.-C., Lithium-Cation and Proton Affinities of Sulfoxides and Sulfones: A Fourier Transform Ion Cyclotron Resonance Study, J. Am. Soc. Mass Spectrom., 1997, 8, 3, 262, https://doi.org/10.1016/S1044-0305(96)00255-3 . [all data]

Bock and Solouki, 1974
Bock, H.; Solouki, B., Photoelektronenspektren und molekuleigenschaften, XXXV. Sulfoxide X2SO - beispiele fur den nutzen von korrelations - diagrammen bei der diskussion von substituenteneffekten und von geometrischen storungen, Chem. Ber., 1974, 107, 2299. [all data]

Distefano, Foffani, et al., 1971
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Mass spectrometric study of transition metal complexes with ligands having nitrogen or sulphur as donor atom, Adv. Mass Spectrom., 1971, 5, 696. [all data]

Distefano, Foffani, et al., 1971, 2
Distefano, G.; Foffani, A.; Innorta, G.; Pignataro, S., Electron impact ionization potentials of some manganese, chromium and tungsten organometallic derivatives, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 383. [all data]

Lang (editor), 1963
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1963, 4, 201. [all data]


Notes

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