- InChI
- InChI=1S/C7H4BrF3/c8-3-4-5(9)1-2-6(10)7(4)11/h1-2H,3H2
- InChI Key
- JPBWEVKHPSNBCE-UHFFFAOYSA-N
- Formula
- C7H4BrF3
- SMILES
- Fc1ccc(F)c(CBr)c1F
- Molecular Weight1
- 225.01
- CAS
- 151412-02-1
- 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° | -478.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 108.540 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Tboil | 465.15 | K | Joback Calculated Property |
| Tc | 665.56 | K | Joback Calculated Property |
| Tfus | 294.20 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.44; 240.24] | J/mol×K | [465.15; 665.56] | 
|
| Cp,gas | 198.44 | J/mol×K | 465.15 | Joback Calculated Property |
| Cp,gas | 206.45 | J/mol×K | 498.55 | Joback Calculated Property |
| Cp,gas | 214.02 | J/mol×K | 531.95 | Joback Calculated Property |
| Cp,gas | 221.17 | J/mol×K | 565.36 | Joback Calculated Property |
| Cp,gas | 227.91 | J/mol×K | 598.76 | Joback Calculated Property |
| Cp,gas | 234.27 | J/mol×K | 632.16 | Joback Calculated Property |
| Cp,gas | 240.24 | J/mol×K | 665.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorobenzylbromide.
Sources
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