- InChI
- InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
- InChI Key
- PZKDJJMHRYNBOR-UHFFFAOYSA-N
- Formula
- C6H2Br2ClF
- SMILES
- Fc1cc(Br)c(Cl)c(Br)c1
- Molecular Weight1
- 288.34
- CAS
- 179897-90-6
- Other Names
-
- Benzene, 1,3-dibromo-2-chloro-5-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 | 0.3932 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.004 | Crippen Calculated Property | |
| McVol | 120.650 | ml/mol | McGowan Calculated Property |
| Pc | 4743.15 | kPa | Joback Calculated Property |
| Tboil | 517.73 | K | Relay (1.0) Calculated Property |
| Tc | 746.83 | K | Relay (1.0) Calculated Property |
| Tfus | 342.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.79; 218.80] | J/mol×K | [547.32; 797.03] | 
|
| Cp,gas | 188.79 | J/mol×K | 547.32 | Joback Calculated Property |
| Cp,gas | 194.93 | J/mol×K | 588.94 | Joback Calculated Property |
| Cp,gas | 200.55 | J/mol×K | 630.56 | Joback Calculated Property |
| Cp,gas | 205.72 | J/mol×K | 672.17 | Joback Calculated Property |
| Cp,gas | 210.45 | J/mol×K | 713.79 | Joback Calculated Property |
| Cp,gas | 214.80 | J/mol×K | 755.41 | Joback Calculated Property |
| Cp,gas | 218.80 | J/mol×K | 797.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-2,6-dibromo-4-fluorobenzene.
Sources
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