- InChI
- InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
- InChI Key
- WVUDHWBCPSXAFN-UHFFFAOYSA-N
- Formula
- C7H4BrF3O
- SMILES
- FC(F)(F)Oc1cccc(Br)c1
- Molecular Weight1
- 241.00
- CAS
- 2252-44-0
- Other Names
-
- Anisole, m-bromo-«alpha»«alpha»«alpha»-trifluoro-
- 1-Bromo-3-trifluoromethoxy-benzene
- Benzene, 1-bromo-3-(trifluoromethoxy)-
- 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° | -561.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.348 | Crippen Calculated Property | |
| McVol | 114.410 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 474.38 | K | Joback Calculated Property |
| Tc | 683.93 | K | Joback Calculated Property |
| Tfus | 293.81 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.56; 270.25] | J/mol×K | [474.38; 683.93] | 
|
| Cp,gas | 222.56 | J/mol×K | 474.38 | Joback Calculated Property |
| Cp,gas | 232.14 | J/mol×K | 509.31 | Joback Calculated Property |
| Cp,gas | 241.02 | J/mol×K | 544.23 | Joback Calculated Property |
| Cp,gas | 249.24 | J/mol×K | 579.16 | Joback Calculated Property |
| Cp,gas | 256.83 | J/mol×K | 614.08 | Joback Calculated Property |
| Cp,gas | 263.82 | J/mol×K | 649.01 | Joback Calculated Property |
| Cp,gas | 270.25 | J/mol×K | 683.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethoxy)bromobenzene.
Sources
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