- InChI
- InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
- InChI Key
- ZAJAQTYSTDTMCU-UHFFFAOYSA-N
- Formula
- C6H7NO3S
- SMILES
- Nc1cccc(S(=O)(=O)O)c1
- Molecular Weight1
- 173.19
- Other Names
-
- m-Aminobenzenesulfonic acid
- Benzenesulfonic acid, 3-amino-
- 3-Aminobenzenesulphonic acid
- m-Anilinesulfonic acid
- m-Sulfanilic acid
- Aminobenzenesulfonic acid
- Kyselina anilin-3-sulfonova
- Kyselina metanilova
- 1-Aminobenzene-3-sulfonic acid
- Aniline-m-sulfonic acid
- 3-Sulfoaniline
- m-Aminophenylsulfonic acid
- NSC 4504
- ω : Acentric Factor.
- 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).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 |
|---|---|---|---|
| ω | 0.7704 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3357.30 | kJ/mol | NIST |
| ΔfH°gas | -424.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -606.20 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 25.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.516 | Crippen Calculated Property | |
| McVol | 115.580 | ml/mol | McGowan Calculated Property |
| Pc | 7255.44 | kPa | Joback Calculated Property |
| Tboil | 607.04 | K | Relay (1.0) Calculated Property |
| Tc | 906.79 | K | Relay (1.0) Calculated Property |
| Tfus | 519.05 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 3-Aminobenzenesulfonic acid.
Sources
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