Chemical Properties of Aniline, 4-(n,n-dimethylamino)-2-(p-chlorophenylsulfonyl)- (CAS 19770-81-1)

InChI

InChI=1S/C14H15ClN2O2S/c1-17(2)11-5-8-13(16)14(9-11)20(18,19)12-6-3-10(15)4-7-12/h3-9H,16H2,1-2H3

InChI Key

XKUYLCRQBNOEME-UHFFFAOYSA-N

Formula

C14H15ClN2O2S

SMILES

CN(C)c1ccc(N)c(S(=O)(=O)c2ccc(Cl)cc2)c1

Molecular Weight¹

310.80

CAS

19770-81-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[290.91; 646.93]	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			7.18000e+00
Coefficient B			1.22373e+00
Coefficient C			-7.09880e-04
Coefficient D			1.25900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.91	J/mol×K	273.00	Calculated Property
Cp,gas	356.84	J/mol×K	353.78	Calculated Property
Cp,gas	415.24	J/mol×K	434.56	Calculated Property
Cp,gas	466.52	J/mol×K	515.33	Calculated Property
Cp,gas	511.07	J/mol×K	596.11	Calculated Property
Cp,gas	549.30	J/mol×K	676.89	Calculated Property
Cp,gas	581.61	J/mol×K	757.67	Calculated Property
Cp,gas	608.38	J/mol×K	838.44	Calculated Property
Cp,gas	630.02	J/mol×K	919.22	Calculated Property
Cp,gas	646.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Aniline, 4-(n,n-dimethylamino)-2-(p-chlorophenylsulfonyl)-.

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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