- InChI
- InChI=1S/C8H6F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H
- InChI Key
- BDQHSIMDNYIOMB-UHFFFAOYSA-N
- Formula
- C8H6F4O
- SMILES
- OC(c1ccc(F)cc1)C(F)(F)F
- Molecular Weight1
- 194.13
- 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).
- Inp : Non-polar retention indices.
- 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° | -796.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.421 | Crippen Calculated Property | |
| McVol | 112.770 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Inp | 1035.00 | NIST | |
| Tboil | 499.69 | K | Joback Calculated Property |
| Tc | 676.46 | K | Joback Calculated Property |
| Tfus | 269.46 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.44; 308.98] | J/mol×K | [499.69; 676.46] | 
|
| Cp,gas | 260.44 | J/mol×K | 499.69 | Joback Calculated Property |
| Cp,gas | 269.94 | J/mol×K | 529.15 | Joback Calculated Property |
| Cp,gas | 278.84 | J/mol×K | 558.61 | Joback Calculated Property |
| Cp,gas | 287.17 | J/mol×K | 588.07 | Joback Calculated Property |
| Cp,gas | 294.94 | J/mol×K | 617.54 | Joback Calculated Property |
| Cp,gas | 302.21 | J/mol×K | 647.00 | Joback Calculated Property |
| Cp,gas | 308.98 | J/mol×K | 676.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanol, 2,2,2-trifluoro-1-(4-fluorophenyl).
Sources
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