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

• Formula: C₈H₁₀O₂S
• Molecular weight: 170.229
• IUPAC Standard InChI: InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3 Copy

  
• IUPAC Standard InChIKey: YYDNBUBMBZRNQQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 3185-99-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Sulfone, methyl p-tolyl; p-Tolyl methyl sulfone; Methyl p-tolyl sulfone; 1-Methyl-4-(methyl-sulphonyl)benzene; Methyl p-tolyl sulphone; Methyl 4-tolyl sulfone; 1-Methansulfonyl-4-methylbenzene; (p-Tolylsulfonyl)methane; NSC 2722; NSC 29038; p-(methylsulphonyl)toluene
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 by: John E. Bartmess

De-protonation reactions

C₈H₉O₂S^- +  =

By formula: C₈H₉O₂S^- + H⁺ = C₈H₁₀O₂S

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]

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]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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