- InChI
- InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
- InChI Key
- WNABMWFLKQEGCP-UHFFFAOYSA-N
- Formula
- C7H5Br2NO2
- SMILES
- Nc1c(Br)cc(Br)cc1C(=O)O
- Molecular Weight1
- 294.93
- CAS
- 609-85-8
- Other Names
-
- 2-Amino-3,5-dibromobenzoic acid
- Benzoic acid, 2-amino-3,5-dibromo-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -79.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.492 | Crippen Calculated Property | |
| McVol | 138.150 | ml/mol | McGowan Calculated Property |
| Pc | 6359.24 | kPa | Joback Calculated Property |
| Tboil | 752.08 | K | Joback Calculated Property |
| Tc | 994.37 | K | Joback Calculated Property |
| Tfus | 505.15 ± 3.00 | K | NIST |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.97; 314.09] | J/mol×K | [752.08; 994.37] | 
|
| Cp,gas | 284.97 | J/mol×K | 752.08 | Joback Calculated Property |
| Cp,gas | 290.83 | J/mol×K | 792.46 | Joback Calculated Property |
| Cp,gas | 296.24 | J/mol×K | 832.84 | Joback Calculated Property |
| Cp,gas | 301.23 | J/mol×K | 873.22 | Joback Calculated Property |
| Cp,gas | 305.83 | J/mol×K | 913.61 | Joback Calculated Property |
| Cp,gas | 310.11 | J/mol×K | 953.99 | Joback Calculated Property |
| Cp,gas | 314.09 | J/mol×K | 994.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dibromoanthranilic acid.
Sources
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