- InChI
- InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChI Key
- GZRMNMGWNKSANY-UHFFFAOYSA-N
- Formula
- C6H5BrFN
- SMILES
- Nc1ccc(Br)cc1F
- Molecular Weight1
- 190.01
- CAS
- 367-24-8
- Other Names
-
- Benzenamine, 4-bromo-2-fluoro-
- 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° | -21.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -89.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.170 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 5015.69 | kPa | Joback Calculated Property |
| Tboil | 511.28 | K | Joback Calculated Property |
| Tc | 748.98 | K | Joback Calculated Property |
| Tfus | 352.49 | K | Joback Calculated Property |
| Vc | 0.372 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.37; 229.00] | J/mol×K | [511.28; 748.98] | 
|
| Cp,gas | 187.37 | J/mol×K | 511.28 | Joback Calculated Property |
| Cp,gas | 195.68 | J/mol×K | 550.90 | Joback Calculated Property |
| Cp,gas | 203.39 | J/mol×K | 590.51 | Joback Calculated Property |
| Cp,gas | 210.55 | J/mol×K | 630.13 | Joback Calculated Property |
| Cp,gas | 217.18 | J/mol×K | 669.75 | Joback Calculated Property |
| Cp,gas | 223.32 | J/mol×K | 709.37 | Joback Calculated Property |
| Cp,gas | 229.00 | J/mol×K | 748.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2-fluoroaniline.
Sources
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