- InChI
- InChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
- InChI Key
- KJJGFGWQNCPZBG-UHFFFAOYSA-N
- Formula
- C6H2BrF2I
- SMILES
- Fc1cc(F)c(I)c(Br)c1
- Molecular Weight1
- 318.88
- CAS
- 175278-11-2
- 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° | -234.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 4156.97 | kPa | Joback Calculated Property |
| Tboil | 536.14 | K | Joback Calculated Property |
| Tc | 785.66 | K | Joback Calculated Property |
| Tfus | 340.40 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.50; 216.46] | J/mol×K | [536.14; 785.66] | 
|
| Cp,gas | 185.50 | J/mol×K | 536.14 | Joback Calculated Property |
| Cp,gas | 191.84 | J/mol×K | 577.73 | Joback Calculated Property |
| Cp,gas | 197.64 | J/mol×K | 619.31 | Joback Calculated Property |
| Cp,gas | 202.97 | J/mol×K | 660.90 | Joback Calculated Property |
| Cp,gas | 207.85 | J/mol×K | 702.48 | Joback Calculated Property |
| Cp,gas | 212.33 | J/mol×K | 744.07 | Joback Calculated Property |
| Cp,gas | 216.46 | J/mol×K | 785.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4,6-difluoroiodobenzene.
Sources
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