Chemical Properties of O-AMINOBENZENESULFONIC ACID

InChI

InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

InChI Key

ZMCHBSMFKQYNKA-UHFFFAOYSA-N

Formula

C6H7NO3S

SMILES

Nc1ccccc1S(=O)(=O)O

Molecular Weight¹

173.19

Other Names

• 1-Aminobenzene-2-sulfonic acid
• 2-Aminobenzenesulfonic acid
• 2-Aminobenzenesulphonic acid
• Aniline-2-sulfonic acid
• Aniline-o-sulfonic acid
• Aniline-o-sulphonic acid
• Anilino-2-sulfonic acid
• Anilino-o-sulfonic acid
• Anilino-o-sulphonic acid
• Benzenesulfonic acid, 2-amino-
• Benzenesulfonic acid, o-amino-
• NSC 147
• Orthanilic acid
• o-Aminophenylsulfonic acid
• o-Sulfanilic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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 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	[156.95; 331.18]	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			2.28500e+01
Coefficient B			5.64890e-01
Coefficient C			-2.74960e-04
Coefficient D			1.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.95	J/mol×K	273.00	Calculated Property
Cp,gas	189.10	J/mol×K	353.78	Calculated Property
Cp,gas	217.91	J/mol×K	434.56	Calculated Property
Cp,gas	243.45	J/mol×K	515.33	Calculated Property
Cp,gas	265.78	J/mol×K	596.11	Calculated Property
Cp,gas	284.94	J/mol×K	676.89	Calculated Property
Cp,gas	301.01	J/mol×K	757.67	Calculated Property
Cp,gas	314.03	J/mol×K	838.44	Calculated Property
Cp,gas	324.07	J/mol×K	919.22	Calculated Property
Cp,gas	331.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to O-AMINOBENZENESULFONIC ACID.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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