Chemical Properties of Benzenesulfonyl chloride, 4-chloro-3-nitro-

InChI

InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H

InChI Key

SEWNAJIUKSTYOP-UHFFFAOYSA-N

Formula

C6H3Cl2NO4S

SMILES

O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1Cl

Molecular Weight¹

256.07

Other Names

• 2-Chloro-1-nitrobenzene-5-sulfonyl chloride
• 3-Nitro-4-chlorobenzenesulfonyl chloride
• 4-Chloro-3-nitrobenzenesulfonyl chloride
• 4-chloro-3-nitrobenzenesulphonyl chloride
• Yellow Sulfon Chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[180.60; 336.27]	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			5.66400e+01
Coefficient B			5.22450e-01
Coefficient C			-2.53320e-04
Coefficient D			1.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.60	J/mol×K	273.00	Calculated Property
Cp,gas	210.23	J/mol×K	353.78	Calculated Property
Cp,gas	236.70	J/mol×K	434.56	Calculated Property
Cp,gas	260.04	J/mol×K	515.33	Calculated Property
Cp,gas	280.29	J/mol×K	596.11	Calculated Property
Cp,gas	297.47	J/mol×K	676.89	Calculated Property
Cp,gas	311.63	J/mol×K	757.67	Calculated Property
Cp,gas	322.79	J/mol×K	838.44	Calculated Property
Cp,gas	331.00	J/mol×K	919.22	Calculated Property
Cp,gas	336.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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