- InChI
- InChI=1S/C6H4BrClFN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
- InChI Key
- LIBGMUMMWYKJSC-UHFFFAOYSA-N
- Formula
- C6H4BrClFN
- SMILES
- Nc1c(Cl)cc(F)cc1Br
- Molecular Weight1
- 224.46
- CAS
- 201849-14-1
- Other Names
-
- Benzenamine, 2-bromo-6-chloro-4-fluoro-
- 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 | 0.4744 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.824 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Tboil | 509.68 | K | Relay (1.0) Calculated Property |
| Tc | 774.66 | K | Relay (1.0) Calculated Property |
| Tfus | 345.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.85; 242.11] | J/mol×K | [553.69; 797.23] | 
|
| Cp,gas | 205.85 | J/mol×K | 553.69 | Joback Calculated Property |
| Cp,gas | 213.10 | J/mol×K | 594.28 | Joback Calculated Property |
| Cp,gas | 219.83 | J/mol×K | 634.87 | Joback Calculated Property |
| Cp,gas | 226.07 | J/mol×K | 675.46 | Joback Calculated Property |
| Cp,gas | 231.84 | J/mol×K | 716.05 | Joback Calculated Property |
| Cp,gas | 237.18 | J/mol×K | 756.64 | Joback Calculated Property |
| Cp,gas | 242.11 | J/mol×K | 797.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-6-chloro-4-fluoroaniline.
Sources
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