Chemical Properties of P-chlorobenzene sulfonic acid, 3-chloro-2,6-dimethoxyphenyl ester (CAS 18092-96-1)

InChI

InChI=1S/C14H12Cl2O5S/c1-19-12-8-7-11(16)13(20-2)14(12)21-22(17,18)10-5-3-9(15)4-6-10/h3-8H,1-2H3

InChI Key

LSDAGINLGIKFAD-UHFFFAOYSA-N

Formula

C14H12Cl2O5S

SMILES

COc1ccc(Cl)c(OC)c1OS(=O)(=O)c1ccc(Cl)cc1

Molecular Weight¹

363.21

CAS

18092-96-1

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.91; 635.26]	J/mol×K	[783.10; 1012.03]
Cp,gas	581.91	J/mol×K	783.10	Joback Calculated Property
Cp,gas	594.03	J/mol×K	821.25	Joback Calculated Property
Cp,gas	604.90	J/mol×K	859.41	Joback Calculated Property
Cp,gas	614.49	J/mol×K	897.56	Joback Calculated Property
Cp,gas	622.77	J/mol×K	935.72	Joback Calculated Property
Cp,gas	629.71	J/mol×K	973.87	Joback Calculated Property
Cp,gas	635.26	J/mol×K	1012.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to P-chlorobenzene sulfonic acid, 3-chloro-2,6-dimethoxyphenyl ester.

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

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