- InChI
- InChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H
- InChI Key
- UERAGXKMOXUWPC-UHFFFAOYSA-N
- Formula
- C7H3BrF4
- SMILES
- Fc1cccc(C(F)(F)F)c1Br
- Molecular Weight1
- 243.00
- CAS
- 104540-42-3
- 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 | 0.3553 | Relay (1.0) Calculated Property | |
| ΔfG° | -660.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.607 | Crippen Calculated Property | |
| McVol | 110.310 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 444.58 | K | Relay (1.0) Calculated Property |
| Tc | 629.00 | K | Relay (1.0) Calculated Property |
| Tfus | 227.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.05; 254.51] | J/mol×K | [456.21; 657.47] | 
|
| Cp,gas | 210.05 | J/mol×K | 456.21 | Joback Calculated Property |
| Cp,gas | 219.04 | J/mol×K | 489.75 | Joback Calculated Property |
| Cp,gas | 227.34 | J/mol×K | 523.30 | Joback Calculated Property |
| Cp,gas | 235.00 | J/mol×K | 556.84 | Joback Calculated Property |
| Cp,gas | 242.05 | J/mol×K | 590.38 | Joback Calculated Property |
| Cp,gas | 248.54 | J/mol×K | 623.93 | Joback Calculated Property |
| Cp,gas | 254.51 | J/mol×K | 657.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-3-fluorobenzotrifluoride.
Sources
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