- InChI
- InChI=1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
- InChI Key
- PZBSPSOGEVCRQI-UHFFFAOYSA-N
- Formula
- C6H2BrF3
- SMILES
- Fc1cc(F)c(Br)c(F)c1
- Molecular Weight1
- 210.98
- CAS
- 2367-76-2
- Other Names
-
- Benzene, 2-bromo-1,3,5-trifluoro-
- 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 | 0.3563 | Relay (1.0) Calculated Property | |
| ΔfG° | -486.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.866 | Crippen Calculated Property | |
| McVol | 94.450 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 422.77 | K | Relay (1.0) Calculated Property |
| Tc | 629.44 | K | Relay (1.0) Calculated Property |
| Tfus | 240.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.19; 195.70] | J/mol×K | [442.27; 645.14] | 
|
| Cp,gas | 161.19 | J/mol×K | 442.27 | Joback Calculated Property |
| Cp,gas | 167.83 | J/mol×K | 476.08 | Joback Calculated Property |
| Cp,gas | 174.10 | J/mol×K | 509.89 | Joback Calculated Property |
| Cp,gas | 180.01 | J/mol×K | 543.70 | Joback Calculated Property |
| Cp,gas | 185.57 | J/mol×K | 577.51 | Joback Calculated Property |
| Cp,gas | 190.79 | J/mol×K | 611.33 | Joback Calculated Property |
| Cp,gas | 195.70 | J/mol×K | 645.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-2,4,6-trifluorobenzene.
Sources
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