Chemical Properties of 2,4,6-Trichlorobenzenesulfonyl chloride

InChI

InChI=1S/C6H2Cl4O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H

InChI Key

WHJAQKAAIOHCGN-UHFFFAOYSA-N

Formula

C6H2Cl4O2S

SMILES

O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

279.96

• 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	[182.79; 303.54]	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			9.12300e+01
Coefficient B			3.77190e-01
Coefficient C			-1.48680e-04
Coefficient D			-1.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.79	J/mol×K	273.00	Calculated Property
Cp,gas	205.35	J/mol×K	353.78	Calculated Property
Cp,gas	225.73	J/mol×K	434.56	Calculated Property
Cp,gas	243.91	J/mol×K	515.33	Calculated Property
Cp,gas	259.81	J/mol×K	596.11	Calculated Property
Cp,gas	273.40	J/mol×K	676.89	Calculated Property
Cp,gas	284.62	J/mol×K	757.67	Calculated Property
Cp,gas	293.41	J/mol×K	838.44	Calculated Property
Cp,gas	299.74	J/mol×K	919.22	Calculated Property
Cp,gas	303.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trichlorobenzenesulfonyl chloride.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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