- InChI
- InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H
- InChI Key
- FPNVMCMDWZNTEU-UHFFFAOYSA-N
- Formula
- C6H3BrClF
- SMILES
- Fc1cc(Cl)ccc1Br
- Molecular Weight1
- 209.44
- CAS
- 1996-29-8
- 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° | -99.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 476.18 | K | Joback Calculated Property |
| Tc | 708.25 | K | Joback Calculated Property |
| Tfus | 299.15 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.66; 201.36] | J/mol×K | [476.18; 708.25] | 
|
| Cp,gas | 164.66 | J/mol×K | 476.18 | Joback Calculated Property |
| Cp,gas | 172.00 | J/mol×K | 514.86 | Joback Calculated Property |
| Cp,gas | 178.82 | J/mol×K | 553.54 | Joback Calculated Property |
| Cp,gas | 185.13 | J/mol×K | 592.22 | Joback Calculated Property |
| Cp,gas | 190.97 | J/mol×K | 630.90 | Joback Calculated Property |
| Cp,gas | 196.37 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 201.36 | J/mol×K | 708.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-4-chloro-2-fluorobenzene.
Sources
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