Chemical Properties of Benzenesulfonothioic acid, 4-chloro-, S-phenyl ester

InChI

InChI=1S/C12H9ClO2S2/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H

InChI Key

OZBQHMNNLSUKDP-UHFFFAOYSA-N

Formula

C12H9ClO2S2

SMILES

O=S(=O)(Sc1ccccc1)c1ccc(Cl)cc1

Molecular Weight¹

284.79

Other Names

• Benzenesulfonic acid, p-chlorothio-, S-phenyl ester
• p-Chlorothiolbenzenesulfonic acid, phenyl ester

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.01; 502.42]	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			4.20000e+00
Coefficient B			9.61280e-01
Coefficient C			-5.38960e-04
Coefficient D			7.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.01	J/mol×K	273.00	Calculated Property
Cp,gas	280.18	J/mol×K	353.78	Calculated Property
Cp,gas	326.38	J/mol×K	434.56	Calculated Property
Cp,gas	366.84	J/mol×K	515.33	Calculated Property
Cp,gas	401.79	J/mol×K	596.11	Calculated Property
Cp,gas	431.48	J/mol×K	676.89	Calculated Property
Cp,gas	456.15	J/mol×K	757.67	Calculated Property
Cp,gas	476.03	J/mol×K	838.44	Calculated Property
Cp,gas	491.38	J/mol×K	919.22	Calculated Property
Cp,gas	502.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonothioic acid, 4-chloro-, S-phenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.