Chemical Properties of 5-Fluoro-2-methylbenzenesulphonyl chloride

InChI

InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3

InChI Key

NPEWBMJAUUSBLE-UHFFFAOYSA-N

Formula

C7H6ClFO2S

SMILES

Cc1ccc(F)cc1S(=O)(=O)Cl

Molecular Weight¹

208.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.44; 340.43]	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			4.34400e+01
Coefficient B			5.23110e-01
Coefficient C			-2.25320e-04
Coefficient D			-8.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.44	J/mol×K	273.00	Calculated Property
Cp,gas	200.27	J/mol×K	353.78	Calculated Property
Cp,gas	228.15	J/mol×K	434.56	Calculated Property
Cp,gas	253.07	J/mol×K	515.33	Calculated Property
Cp,gas	275.04	J/mol×K	596.11	Calculated Property
Cp,gas	294.04	J/mol×K	676.89	Calculated Property
Cp,gas	310.09	J/mol×K	757.67	Calculated Property
Cp,gas	323.17	J/mol×K	838.44	Calculated Property
Cp,gas	333.28	J/mol×K	919.22	Calculated Property
Cp,gas	340.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-2-methylbenzenesulphonyl chloride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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