- InChI
- InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
- InChI Key
- HVBSAKJJOYLTQU-UHFFFAOYSA-N
- Formula
- C6H7NO3S
- SMILES
- Nc1ccc(S(=O)(=O)O)cc1
- Molecular Weight1
- 173.19
- CAS
- 121-57-3
- Other Names
-
- 4-Amino benzenesulphonic acid
- 4-aminobenzenesulfonic acid
- Aniline-4-sulfonic acid
- Aniline-p-sulfonic acid
- Aniline-p-sulphonic acid
- Kyselina sulfanilova
- NSC 7170
- Sulfanilsaeure
- Sulphanilic acid
- p-Aminophenylsulfonic acid
- p-Anilinesulfonic acid
- p-aminobenzenesulfonic acid
- sulfanilic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3351.20 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | -427.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -612.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 25.61 | kJ/mol | Joback Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.516 | Crippen Calculated Property | |
| McVol | 115.580 | ml/mol | McGowan Calculated Property |
| Tboil | 606.33 | K | Relay (1.0) Calculated Property |
| Tfus | [561.10; 599.65] | K |
|
| Tfus | 561.10 | K | Thermodynamic Models for Determination of the Solubility of Sulfanilic Acid in Different Solvents at Temperatures from (278.15 to 328.15) K |
| Tfus | 599.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
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 Benzenesulfonic acid, 4-amino-.
Mixtures
- Benzenesulfonic acid, 4-amino- + Water + Glycine, N-(carboxymethyl)-
- Benzenesulfonic acid, 4-amino- + Water
- Benzenesulfonic acid, 4-amino- + sodium chloride + Water
- Benzenesulfonic acid, 4-amino- + Glycine + Water
- 2-Propanol + Benzenesulfonic acid, 4-amino-
- Benzenesulfonic acid, 4-amino- + Methyl Alcohol
- Benzenesulfonic acid, 4-amino- + Ethanol
- Benzenesulfonic acid, 4-amino- + Acetone
- Acetonitrile + Benzenesulfonic acid, 4-amino-
- Benzenesulfonic acid, 4-amino- + Formic acid
- Benzenesulfonic acid, 4-amino- + Acetic 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
- Volumetric approach to the interaction of diglycine in aqueous solutions of sulpha drugs at T = 288.15 to 308.15 K
- Volumetric Properties of Glycine in Aqueous Solutions of Some Sulfa Drugs at (288.15, 298.15, and 308.15) K
- Interactions between Sulpha Drugs and Magnesium Chloride in Aqueous Solutions at T = (288.15 to 318.15) K: Volumetric and Viscometric Approach
- Thermodynamic Models for Determination of the Solubility of Sulfanilic Acid in Different Solvents at Temperatures from (278.15 to 328.15) K
- Volumetric and Viscometric Properties of Some Sulpha Drugs in Aqueous Solutions of Sodium Chloride at T = (288.15 to 318.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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