Chemical Properties of Benzene, 1-fluoro-4-(methylsulfonyl)-

InChI

InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

InChI Key

DPJHZJGAGIWXTD-UHFFFAOYSA-N

Formula

C7H7FO2S

SMILES

CS(=O)(=O)c1ccc(F)cc1

Molecular Weight¹

174.20

Other Names

• 1-fluoro-4-(methylsulfonyl)benzene
• 1-fluoro-4-(methylsulphonyl)benzene
• 1-fluoro-4-methanesulfonylbenzene
• 1-fluoro-4-methylsulfonylbenzene
• 4-(methylsulfonyl)fluorobenzene
• 4-fluoro-1-(methylsulfonyl)benzene
• 4-fluorophenyl methyl sulfone
• 4-methylsulfonyl-1-fluorobenzene
• Sulfone, p-fluorophenyl methyl
• methyl 4-fluorophenyl sulfone
• p-fluorophenyl methyl sulfone

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.48; 335.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.62500e+01
Coefficient B			5.75810e-01
Coefficient C			-2.71960e-04
Coefficient D			1.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.48	J/mol×K	273.00	Calculated Property
Cp,gas	186.59	J/mol×K	353.78	Calculated Property
Cp,gas	216.35	J/mol×K	434.56	Calculated Property
Cp,gas	242.83	J/mol×K	515.33	Calculated Property
Cp,gas	266.05	J/mol×K	596.11	Calculated Property
Cp,gas	286.09	J/mol×K	676.89	Calculated Property
Cp,gas	302.97	J/mol×K	757.67	Calculated Property
Cp,gas	316.75	J/mol×K	838.44	Calculated Property
Cp,gas	327.48	J/mol×K	919.22	Calculated Property
Cp,gas	335.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Mixtures

• Trichloromethane + Benzene, 1-fluoro-4-(methylsulfonyl)-
• Benzene, 1-fluoro-4-(methylsulfonyl)- + Acetone
• Toluene + Benzene, 1-fluoro-4-(methylsulfonyl)-
• Benzene, 1-fluoro-4-(methylsulfonyl)- + Ethyl Acetate
• Ethanol + Benzene, 1-fluoro-4-(methylsulfonyl)-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of 1-Fluoro-4-(methylsulfonyl)benzene in Five Pure Organic Solvents at Temperatures from (288.40 to 331.50) K
• Joback Method
• McGowan Method
• NIST Webbook

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