- InChI
- InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
- InChI Key
- CUKXRHLWPSBCTI-UHFFFAOYSA-N
- Formula
- C7H6BrNO2
- SMILES
- Nc1ccc(Br)cc1C(=O)O
- Molecular Weight1
- 216.03
- CAS
- 5794-88-7
- Other Names
-
- 5-Bromo-2-aminobenzoic acid
- 5-Bromoanthranilic acid
- Anthranilic acid, 5-bromo-
- Benzoic acid, 2-amino-5-bromo-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7456 | Relay (... Calculated Property | |
| ΔfG° | -83.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -3.07 | Aq. Sol... | |
| logPoct/wat | 1.730 | Crippen Calculated Property | |
| McVol | 120.650 | ml/mol | McGowan Calculated Property |
| Pc | 5845.00 | kPa | Joback Calculated Property |
| Tboil | 590.35 | K | Relay (... Calculated Property |
| Tc | 879.56 | K | Relay (... Calculated Property |
| Tfus | 493.09 | K | Relay (... Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.54; 299.27] | J/mol×K | [680.94; 912.27] | 
|
| Cp,gas | 264.54 | J/mol×K | 680.94 | Joback Calculated Property |
| Cp,gas | 271.55 | J/mol×K | 719.50 | Joback Calculated Property |
| Cp,gas | 278.02 | J/mol×K | 758.05 | Joback Calculated Property |
| Cp,gas | 284.00 | J/mol×K | 796.61 | Joback Calculated Property |
| Cp,gas | 289.52 | J/mol×K | 835.16 | Joback Calculated Property |
| Cp,gas | 294.60 | J/mol×K | 873.72 | Joback Calculated Property |
| Cp,gas | 299.27 | J/mol×K | 912.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-5-bromobenzoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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