- InChI
- InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
- InChI Key
- RNOVGJWJVRESAA-UHFFFAOYSA-N
- Formula
- C7H4F4O
- SMILES
- Oc1ccc(F)cc1C(F)(F)F
- Molecular Weight1
- 180.10
- CAS
- 130047-19-7
- 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 | 0.4913 | Relay (... Calculated Property | |
| ΔfG° | -820.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.09 | eV | Relay (... Calculated Property |
| log10WS | -1.83 | Relay (... Calculated Property | |
| logPoct/wat | 2.550 | Crippen Calculated Property | |
| McVol | 98.680 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Tboil | 430.56 | K | Relay (... Calculated Property |
| Tc | 639.23 | K | Relay (... Calculated Property |
| Tfus | 279.12 | K | Relay (... Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (... Calculated Property |
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 4-Fluoro-2-(trifluoromethyl)phenol.
Sources
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