Chemical Properties of 3-Chloro-2-methylbenzenesulphonyl chloride

3-Chloro-2-methylbenzenesulphonyl chloride

InChI
InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChI Key
ZSIYKAQPQRTBPF-UHFFFAOYSA-N
Formula
C7H6Cl2O2S
SMILES
Cc1c(Cl)cccc1S(=O)(=O)Cl
Molecular Weight1
225.10
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Physical Properties

Property Value Unit Source
ΔfusH° 26.92 kJ/mol Joback Calculated Property
logPoct/wat 2.576 Crippen Calculated Property
McVol 138.300 ml/mol McGowan Calculated Property
Tboil 554.92 K Relay (1.0) Calculated Property
Tfus 344.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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 [174.65; 341.63] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.02400e+01
Coefficient B5.18110e-01
Coefficient C-2.29320e-04
Coefficient D2.60000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 174.65 J/mol×K 273.00 Calculated Property
Cp,gas 204.95 J/mol×K 353.78 Calculated Property
Cp,gas 232.30 J/mol×K 434.56 Calculated Property
Cp,gas 256.70 J/mol×K 515.33 Calculated Property
Cp,gas 278.15 J/mol×K 596.11 Calculated Property
Cp,gas 296.68 J/mol×K 676.89 Calculated Property
Cp,gas 312.28 J/mol×K 757.67 Calculated Property
Cp,gas 324.97 J/mol×K 838.44 Calculated Property
Cp,gas 334.75 J/mol×K 919.22 Calculated Property
Cp,gas 341.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzenesulfonyl chloride, 2-methyl-. 4-Methyl-1,3-benzenedisulfonyl dichloride. 5-Fluoro-2-methylbenzenesulphonyl chloride. Aniline, n,2-dicyclohexyl-4-methyl-. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 4-chloro-3-methylphenyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl propyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl hexyl ester. Benzothiopyran, 4h-1-, 4-(3-(2-chloroethyl )ureido)-2,3-dl-hydro-. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl decyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl tridecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl heptyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl dodecyl ester.

Find more compounds similar to 3-Chloro-2-methylbenzenesulphonyl chloride.

Sources

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