Chemical Properties of 3-SO2F-C6H4-COOCH3 (CAS 124397-36-0)

InChI

InChI=1S/C8H7FO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3

InChI Key

JEGFLTZACMZIDD-UHFFFAOYSA-N

Formula

C8H7FO4S

SMILES

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

Molecular Weight¹

218.20

CAS

124397-36-0

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation 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	[191.04; 394.90]	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			4.07500e+01
Coefficient B			6.16010e-01
Coefficient C			-2.31760e-04
Coefficient D			-3.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.04	J/mol×K	273.00	Calculated Property
Cp,gas	228.34	J/mol×K	353.78	Calculated Property
Cp,gas	262.21	J/mol×K	434.56	Calculated Property
Cp,gas	292.53	J/mol×K	515.33	Calculated Property
Cp,gas	319.23	J/mol×K	596.11	Calculated Property
Cp,gas	342.20	J/mol×K	676.89	Calculated Property
Cp,gas	361.34	J/mol×K	757.67	Calculated Property
Cp,gas	376.57	J/mol×K	838.44	Calculated Property
Cp,gas	387.79	J/mol×K	919.22	Calculated Property
Cp,gas	394.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-SO2F-C6H4-COOCH3.

Sources

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

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