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Sulfone, methyl phenyl

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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
Deltafgas-253.4 ± 3.1kJ/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -265. ± 3. kJ/mol; Hfusion=1.6±0.2 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
Deltafliquid-345.4 ± 0.88kJ/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -349. ± 0.8 kJ/mol; Hfusion=1.6±0.2 kcal/mol
Quantity Value Units Method Reference Comment
Deltacliquid-4154.8 ± 0.67kJ/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -4148.5 ± 0.4 kJ/mol; Hfusion=1.6±0.2 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tfus358.KN/AKaldor and Hammond, 1991Uncertainty assigned by TRC = 2. K
Tfus363.KN/ABoehme and Sitorus, 1972Uncertainty assigned by TRC = 2. K
Tfus360.KN/AChallenger, Taylor, et al., 1942Uncertainty assigned by TRC = 3. K
Tfus359.KN/AChallenger, Taylor, et al., 1942Uncertainty assigned by TRC = 3. K
Tfus361.KN/AChallenger, Taylor, et al., 1942Uncertainty assigned by TRC = 3. K

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 as indicated in comments:
B - John E. Bartmess
RCD - 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

C7H7O2S- + Hydrogen cation = Sulfone, methyl phenyl

By formula: C7H7O2S- + H+ = C7H8O2S

Quantity Value Units Method Reference Comment
Deltar1518. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1487. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Lithium ion (1+) + Sulfone, methyl phenyl = (Lithium ion (1+) bullet Sulfone, methyl phenyl)

By formula: Li+ + C7H8O2S = (Li+ bullet C7H8O2S)

Quantity Value Units Method Reference Comment
Deltar213.kJ/molCIDCBuncel, Decouzon, et al., 1997RCD

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)812.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity780.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.5PEMohraz, Jian-qi, et al., 1981LLK
9.85PEMohraz, Jian-qi, et al., 1981Vertical value; LLK
9.74PESolouki, Bock, et al., 1975Vertical value; LLK

De-protonation reactions

C7H7O2S- + Hydrogen cation = Sulfone, methyl phenyl

By formula: C7H7O2S- + H+ = C7H8O2S

Quantity Value Units Method Reference Comment
Deltar1518. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1487. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

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+) + Sulfone, methyl phenyl = (Lithium ion (1+) bullet Sulfone, methyl phenyl)

By formula: Li+ + C7H8O2S = (Li+ bullet C7H8O2S)

Quantity Value Units Method Reference Comment
Deltar213.kJ/molCIDCBuncel, Decouzon, et al., 1997 

IR Spectrum

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, Mass spectrum (electron ionization), UV/Visible spectrum, 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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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

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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- 155
NIST MS number 228558

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

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), 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, 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 Kloosterziel and Basker, 1953
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. 12270
Instrument Beckman DU
Melting point 86-88

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, 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]

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]

Challenger, Taylor, et al., 1942
Challenger, F.; Taylor, P.; Taylor, B., Interaction of Betaine with Primary Aromatic Amines, Organic Disulfides, and Sodium Sulfate, J. Chem. Soc., 1942, 48-55. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Mohraz, Jian-qi, et al., 1981
Mohraz, M.; Jian-qi, W.; Heilbronner, E.; Solladie-Cavallo, A.; Matloubi-Moghadam, F., 11. Some comments on the conformations of methyl phenyl sulfides, sulfoxides and sulfones, Helv. Chim. Acta, 1981, 64, 97. [all data]

Solouki, Bock, et al., 1975
Solouki, B.; Bock, H.; Appel, R., Photoelektronenspektren und Molekuleigenschaften, XLV Schwefelsaure-Derivate X2SY2: Alkyl-, Vinyl- und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide, Chem. Ber., 1975, 108, 897. [all data]

Kloosterziel and Basker, 1953
Kloosterziel, H.; Basker, H.J., Rec. trav. chim., 1953, 72, 655. [all data]


Notes

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, References