- InChI
- InChI=1S/C9H8BrNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
- InChI Key
- QVABAFHRLMDDLM-UHFFFAOYSA-N
- Formula
- C9H8BrNO3
- SMILES
- CC(=O)Nc1ccc(Br)cc1C(=O)O
- Molecular Weight1
- 258.07
- CAS
- 38985-79-4
- Other Names
-
- N-Acetyl-5-bromo-anthranilic acid
- 2-Acetamido-5-bromobenzoic acid
- Benzoic acid, 2-(acetylamino)-5-bromo-
- 2-Acetylamino-5-bromobenzoic acid
- 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° | -172.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.106 | Crippen Calculated Property | |
| McVol | 150.400 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 758.21 | K | Joback Calculated Property |
| Tc | 980.18 | K | Joback Calculated Property |
| Tfus | 515.79 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.01; 399.17] | J/mol×K | [758.21; 980.18] | 
|
| Cp,gas | 361.01 | J/mol×K | 758.21 | Joback Calculated Property |
| Cp,gas | 368.75 | J/mol×K | 795.20 | Joback Calculated Property |
| Cp,gas | 375.90 | J/mol×K | 832.20 | Joback Calculated Property |
| Cp,gas | 382.48 | J/mol×K | 869.19 | Joback Calculated Property |
| Cp,gas | 388.53 | J/mol×K | 906.19 | Joback Calculated Property |
| Cp,gas | 394.08 | J/mol×K | 943.18 | Joback Calculated Property |
| Cp,gas | 399.17 | J/mol×K | 980.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetamino-5-bromobenzoic acid.
Sources
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