- InChI
- InChI=1S/C7H4F4O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
- InChI Key
- WEUIJSDNBZVSNY-UHFFFAOYSA-N
- Formula
- C7H4F4O
- SMILES
- Oc1ccc(C(F)(F)F)cc1F
- Molecular Weight1
- 180.10
- CAS
- 77227-78-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -957.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.550 | Crippen Calculated Property | |
| McVol | 98.680 | ml/mol | McGowan Calculated Property |
| Tboil | 420.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.03; 266.17] | J/mol×K | [465.69; 664.06] | 
|
| Cp,gas | 221.03 | J/mol×K | 465.69 | Joback Calculated Property |
| Cp,gas | 230.34 | J/mol×K | 498.75 | Joback Calculated Property |
| Cp,gas | 238.84 | J/mol×K | 531.81 | Joback Calculated Property |
| Cp,gas | 246.62 | J/mol×K | 564.88 | Joback Calculated Property |
| Cp,gas | 253.72 | J/mol×K | 597.94 | Joback Calculated Property |
| Cp,gas | 260.22 | J/mol×K | 631.00 | Joback Calculated Property |
| Cp,gas | 266.17 | J/mol×K | 664.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-4-(trifluoromethyl)phenol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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