Benzene, 1-methyl-4-(methylsulfonyl)-

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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

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Individual Reactions

C8H9O2S- + Hydrogen cation = Benzene, 1-methyl-4-(methylsulfonyl)-

By formula: C8H9O2S- + H+ = C8H10O2S

Quantity Value Units Method Reference Comment
Δr358.8 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr352.1 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase; value altered from reference due to change in acidity scale; B

Lithium ion (1+) + Benzene, 1-methyl-4-(methylsulfonyl)- = (Lithium ion (1+) • Benzene, 1-methyl-4-(methylsulfonyl)-)

By formula: Li+ + C8H10O2S = (Li+ • C8H10O2S)

Quantity Value Units Method Reference Comment
Δr51.7kcal/molCIDCBuncel, Decouzon, et al., 1997RCD

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 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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