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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-60.56 ± 0.73kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -63.4 ± 0.6 kcal/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-82.56 ± 0.21kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -83.3 ± 0.2 kcal/mol; Hfusion=1.6±0.2 kcal/mol
Quantity Value Units Method Reference Comment
Deltacliquid-993.01 ± 0.16kcal/molCcrMackle and O'Hare, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -991.51 ± 0.09 kcal/mol; Hfusion=1.6±0.2 kcal/mol

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
Deltar362.7 ± 2.3kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar355.3 ± 2.0kcal/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
Deltar50.8kcal/molCIDCBuncel, Decouzon, et al., 1997RCD

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

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]


Notes

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