Chemical Properties of Benzenesulfonyl chloride, 3,4-dichloro-

InChI

InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H

InChI Key

NYIBPWGZGSXURD-UHFFFAOYSA-N

Formula

C6H3Cl3O2S

SMILES

O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

245.51

Other Names

• 3,4-Dichlorobenzenesulfonyl chloride
• 3,4-Dichlorophenylsulfonyl chloride
• 3,4-dichlorobenzenesulphonyl chloride

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[166.84; 298.31]	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			6.40400e+01
Coefficient B			4.29890e-01
Coefficient C			-1.95320e-04
Coefficient D			-3.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.84	J/mol×K	273.00	Calculated Property
Cp,gas	191.67	J/mol×K	353.78	Calculated Property
Cp,gas	213.94	J/mol×K	434.56	Calculated Property
Cp,gas	233.66	J/mol×K	515.33	Calculated Property
Cp,gas	250.83	J/mol×K	596.11	Calculated Property
Cp,gas	265.44	J/mol×K	676.89	Calculated Property
Cp,gas	277.50	J/mol×K	757.67	Calculated Property
Cp,gas	286.99	J/mol×K	838.44	Calculated Property
Cp,gas	293.93	J/mol×K	919.22	Calculated Property
Cp,gas	298.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonyl chloride, 3,4-dichloro-.

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)
• 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

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