- InChI
- InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
- InChI Key
- WUBBRNOQWQTFEX-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- Nc1ccc(C(=O)O)c(O)c1
- Molecular Weight1
- 153.14
- CAS
- 65-49-6
- Other Names
-
- 2-Hydroxy-4-aminobenzoic acid
- 3-Hydroxy-4-carboxyaniline
- 4-ASA
- 4-Amino-2-hydroxybenzoic acid
- 4-aminosalicylic acid
- A 1909
- Amino-pas
- Aminopar
- Aminox
- Apacil
- Apas
- Benzoic acid, 4-amino-2-hydroxy-
- Deapasil
- Entepas
- Ferrosan
- Gabbropas
- Hellipidyl
- Kyselina p-aminosalicylova
- NIH 2939
- NSC 2083
- Osacyl
- PAS
- PAS (acid)
- PAS-C
- PASK
- Pamacyl
- Pamisyl
- Paramycin
- Parasal
- Parasalicil
- Parasalindon
- Pasa
- Pasalon
- Pasara
- Pascorbic
- Pasdium
- Pasem
- Paser
- Pasmed
- Pasnodia
- Pasolac
- Propasa
- Rezipas
- Salicylic acid, 4-amino-
- Sanipirol-4
- Sanipriol-4
- p-aminosalicylic Acid
- para-Amino salicylic acid
- para-Pas
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -479.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.66 | kJ/mol | Joback Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Aq. Solubility Prediction | |
| logPoct/wat | 0.673 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Tfus | [423.65; 423.65] | K |
|
| Tfus | 423.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 423.65 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 47.90 | kJ/mol | 406.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.16; 328.07] | 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 | -2.09100e+01 | |||
| Coefficient B | 7.97700e-01 | |||
| Coefficient C | -6.93520e-04 | |||
| Coefficient D | 2.44800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 185.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 214.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 239.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 291.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 316.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 328.07 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aminosalicylic Acid.
Mixtures
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
- Solubility of 4-Aminosalicylic Acid in Supercritical Carbon Dioxide and Subcritical 1,1,1,2-Tetrafluoroethane
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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