Chemical Properties of M-(FLUOROSULFONYL)BENZOIC ACID

InChI

InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChI Key

VWYMBWGOJRULOV-UHFFFAOYSA-N

Formula

C7H5FO4S

SMILES

O=C(O)c1cccc(S(=O)(=O)F)c1

Molecular Weight¹

204.18

Other Names

• Benzoic acid, 3-(fluorosulfonyl)-
• 3-(fluorosulphonyl)benzoic acid

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.11; 345.98]	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			2.08500e+01
Coefficient B			6.26590e-01
Coefficient C			-3.44560e-04
Coefficient D			4.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.11	J/mol×K	273.00	Calculated Property
Cp,gas	201.31	J/mol×K	353.78	Calculated Property
Cp,gas	231.61	J/mol×K	434.56	Calculated Property
Cp,gas	258.15	J/mol×K	515.33	Calculated Property
Cp,gas	281.06	J/mol×K	596.11	Calculated Property
Cp,gas	300.48	J/mol×K	676.89	Calculated Property
Cp,gas	316.54	J/mol×K	757.67	Calculated Property
Cp,gas	329.39	J/mol×K	838.44	Calculated Property
Cp,gas	339.16	J/mol×K	919.22	Calculated Property
Cp,gas	345.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to M-(FLUOROSULFONYL)BENZOIC ACID.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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