Chemical Properties of 3-[(Dichloroamino)sulfonyl]benzoic acid (CAS 116465-30-6)

InChI

InChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)

InChI Key

JVIMBTOZWCVXRU-UHFFFAOYSA-N

Formula

C7H5Cl2NO4S

SMILES

O=C(O)c1cccc(S(=O)(=O)N(Cl)Cl)c1

Molecular Weight¹

270.09

CAS

116465-30-6

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.23; 393.48]	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			2.98500e+01
Coefficient B			7.52290e-01
Coefficient C			-4.81560e-04
Coefficient D			9.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.23	J/mol×K	273.00	Calculated Property
Cp,gas	239.84	J/mol×K	353.78	Calculated Property
Cp,gas	273.45	J/mol×K	434.56	Calculated Property
Cp,gas	302.36	J/mol×K	515.33	Calculated Property
Cp,gas	326.86	J/mol×K	596.11	Calculated Property
Cp,gas	347.24	J/mol×K	676.89	Calculated Property
Cp,gas	363.80	J/mol×K	757.67	Calculated Property
Cp,gas	376.83	J/mol×K	838.44	Calculated Property
Cp,gas	386.62	J/mol×K	919.22	Calculated Property
Cp,gas	393.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-[(Dichloroamino)sulfonyl]benzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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