Chemical Properties of Benzene, 1-methyl-4-(methylsulfonyl)- (CAS 3185-99-7)

InChI

InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3

InChI Key

YYDNBUBMBZRNQQ-UHFFFAOYSA-N

Formula

C8H10O2S

SMILES

Cc1ccc(S(C)(=O)=O)cc1

Molecular Weight¹

170.23

CAS

3185-99-7

Other Names

• (p-Tolylsulfonyl)methane
• 1-Methansulfonyl-4-methylbenzene
• 1-Methyl-4-(methyl-sulphonyl)benzene
• 1-methyl-4-(methylsulfonyl)benzene
• 4-methylphenyl methyl sulfone
• 4-methylsulfonyltoluene
• Methyl p-tolyl sulphone
• NSC 2722
• NSC 29038
• Sulfone, methyl p-tolyl
• methyl 4-tolyl sulfone
• methyl p-tolyl sulfone
• p-(methylsulphonyl)toluene
• p-Tolyl methyl sulfone

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.63; 317.24]	J/mol×K	[461.88; 666.86]
Cp,gas	249.63	J/mol×K	461.88	Joback Calculated Property
Cp,gas	262.50	J/mol×K	496.04	Joback Calculated Property
Cp,gas	274.73	J/mol×K	530.21	Joback Calculated Property
Cp,gas	286.31	J/mol×K	564.37	Joback Calculated Property
Cp,gas	297.25	J/mol×K	598.53	Joback Calculated Property
Cp,gas	307.56	J/mol×K	632.70	Joback Calculated Property
Cp,gas	317.24	J/mol×K	666.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-4-(methylsulfonyl)-.

Mixtures

• Benzene, 1-methyl-4-(methylsulfonyl)- + Methyl Alcohol
• Benzene, 1-methyl-4-(methylsulfonyl)- + Ethanol
• Acetonitrile + Benzene, 1-methyl-4-(methylsulfonyl)-
• Benzene, 1-methyl-4-(methylsulfonyl)- + Ethyl Acetate
• Benzene, 1-methyl-4-(methylsulfonyl)- + Acetone
• Benzene, 1-methyl-4-(methylsulfonyl)- + Formamide, N,N-dimethyl-
• Benzene, 1-methyl-4-(methylsulfonyl)- + 1-Butanol
• 1-Propanol + Benzene, 1-methyl-4-(methylsulfonyl)-
• Isopropyl Alcohol + Benzene, 1-methyl-4-(methylsulfonyl)-

Sources

• Crippen Method
• Crippen Method
• Thermodynamic functions of 1-methyl-4-(methylsulfonyl)benzene solubility in nine organic solvents from T = (278.15 to 318.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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