- InChI
- InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
- InChI Key
- PDPGERGWEOJVDC-UHFFFAOYSA-N
- Formula
- C7H4BrF3O
- SMILES
- Oc1ccc(Br)cc1C(F)(F)F
- Molecular Weight1
- 241.00
- CAS
- 50824-04-9
- 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 | 0.5107 | Relay (... Calculated Property | |
| ΔfG° | -611.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -2.68 | Relay (... Calculated Property | |
| logPoct/wat | 3.173 | Crippen Calculated Property | |
| McVol | 114.410 | ml/mol | McGowan Calculated Property |
| Pc | 4615.13 | kPa | Joback Calculated Property |
| Tboil | 476.05 | K | Relay (... Calculated Property |
| Tc | 697.70 | K | Relay (... Calculated Property |
| Tfus | 301.44 | K | Relay (... Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.90; 283.63] | J/mol×K | [532.58; 757.84] | 
|
| Cp,gas | 243.90 | J/mol×K | 532.58 | Joback Calculated Property |
| Cp,gas | 252.34 | J/mol×K | 570.12 | Joback Calculated Property |
| Cp,gas | 259.92 | J/mol×K | 607.67 | Joback Calculated Property |
| Cp,gas | 266.73 | J/mol×K | 645.21 | Joback Calculated Property |
| Cp,gas | 272.88 | J/mol×K | 682.75 | Joback Calculated Property |
| Cp,gas | 278.48 | J/mol×K | 720.29 | Joback Calculated Property |
| Cp,gas | 283.63 | J/mol×K | 757.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-cresol, 4-bromo-alpha,alpha,alpha-trifluoro-.
Sources
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