Chemical Properties of 4-amino-N-(4-nitrophenyl)benzenesulfonamide

InChI

InChI=1S/C12H11N3O4S/c13-9-1-7-12(8-2-9)20(18,19)14-10-3-5-11(6-4-10)15(16)17/h1-8,14H,13H2

InChI Key

ACJNABKXDUDYAM-UHFFFAOYSA-N

Formula

C12H11N3O4S

SMILES

Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

293.30

• 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).
• 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).
• P_sub : Sublimation 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

Property	Value	Unit	Source
ΔfG°	-21.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.74	kJ/mol	Joback Calculated Property
ΔfusH°	[27.90; 27.90]	kJ/mol
ΔfusH°	27.90	kJ/mol	Thermod...
ΔfusH°	27.90 ± 0.50	kJ/mol	Impact ...
ΔvapH°	100.48	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	1.978		Crippen Calculated Property
McVol	197.890	ml/mol	McGowan Calculated Property
Pc	4438.52	kPa	Joback Calculated Property
Tboil	859.60	K	Joback Calculated Property
Tc	1119.77	K	Joback Calculated Property
Tfus	[438.90; 439.00]	K
Tfus	438.90	K	Thermod...
Tfus	439.00 ± 0.20	K	Impact ...
Vc	0.763	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.24; 596.62]	J/mol×K	[859.60; 1119.77]
Cp,gas	556.24	J/mol×K	859.60	Joback Calculated Property
Cp,gas	566.19	J/mol×K	902.96	Joback Calculated Property
Cp,gas	574.78	J/mol×K	946.32	Joback Calculated Property
Cp,gas	582.06	J/mol×K	989.69	Joback Calculated Property
Cp,gas	588.10	J/mol×K	1033.05	Joback Calculated Property
Cp,gas	592.93	J/mol×K	1076.41	Joback Calculated Property
Cp,gas	596.62	J/mol×K	1119.77	Joback Calculated Property
Psub	[1.50e-06; 2.28e-05]	kPa	[405.55; 438.25]
Psub	1.50e-06	kPa	405.55	Thermod...
Psub	2.18e-06	kPa	409.45	Thermod...
Psub	2.30e-06	kPa	412.85	Thermod...
Psub	3.41e-06	kPa	415.15	Thermod...
Psub	4.01e-06	kPa	417.25	Thermod...
Psub	4.34e-06	kPa	418.75	Thermod...
Psub	5.46e-06	kPa	420.05	Thermod...
Psub	5.63e-06	kPa	421.55	Thermod...
Psub	6.16e-06	kPa	423.25	Thermod...
Psub	7.30e-06	kPa	424.65	Thermod...
Psub	8.92e-06	kPa	426.25	Thermod...
Psub	1.05e-05	kPa	428.75	Thermod...
Psub	1.28e-05	kPa	431.35	Thermod...
Psub	1.41e-05	kPa	432.05	Thermod...
Psub	1.81e-05	kPa	435.15	Thermod...
Psub	2.28e-05	kPa	438.25	Thermod...

Similar Compounds

Find more compounds similar to 4-amino-N-(4-nitrophenyl)benzenesulfonamide.

Sources

• Crippen Method
• Crippen Method
• Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides
• Impact of Sulfonamide Structure on Solubility and Transfer Processes in Biologically Relevant Solvents
• Joback Method
• McGowan Method

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