Chemical Properties of Phenyl p-chloro-benzene sulfonate (CAS 2437-33-4)

InChI

InChI=1S/C12H9ClO3S/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H

InChI Key

FQIJSBUGQPNMQA-UHFFFAOYSA-N

Formula

C12H9ClO3S

SMILES

O=S(=O)(Oc1ccccc1)c1ccc(Cl)cc1

Molecular Weight¹

268.72

CAS

2437-33-4

• 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	[222.91; 494.33]	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			1.01000e+01
Coefficient B			9.03690e-01
Coefficient C			-4.68160e-04
Coefficient D			4.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.91	J/mol×K	273.00	Calculated Property
Cp,gas	273.37	J/mol×K	353.78	Calculated Property
Cp,gas	318.39	J/mol×K	434.56	Calculated Property
Cp,gas	358.14	J/mol×K	515.33	Calculated Property
Cp,gas	392.76	J/mol×K	596.11	Calculated Property
Cp,gas	422.40	J/mol×K	676.89	Calculated Property
Cp,gas	447.23	J/mol×K	757.67	Calculated Property
Cp,gas	467.39	J/mol×K	838.44	Calculated Property
Cp,gas	483.04	J/mol×K	919.22	Calculated Property
Cp,gas	494.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenyl p-chloro-benzene sulfonate.

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.
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