- InChI
- InChI=1S/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2
- InChI Key
- LTWAIZVPDMHGOE-UHFFFAOYSA-N
- Formula
- C8H6F4O
- SMILES
- OCc1cc(F)cc(C(F)(F)F)c1
- Molecular Weight1
- 194.13
- CAS
- 184970-29-4
- 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 | 0.6053 | Relay (1.0) Calculated Property | |
| ΔfG° | -803.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -956.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.337 | Crippen Calculated Property | |
| McVol | 112.770 | ml/mol | McGowan Calculated Property |
| Pc | 3250.43 | kPa | Joback Calculated Property |
| Tboil | 443.58 | K | Relay (1.0) Calculated Property |
| Tc | 677.66 | K | Relay (1.0) Calculated Property |
| Tfus | 305.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.96; 305.96] | J/mol×K | [505.11; 679.44] | 
|
| Cp,gas | 259.96 | J/mol×K | 505.11 | Joback Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 534.17 | Joback Calculated Property |
| Cp,gas | 277.25 | J/mol×K | 563.22 | Joback Calculated Property |
| Cp,gas | 285.13 | J/mol×K | 592.28 | Joback Calculated Property |
| Cp,gas | 292.52 | J/mol×K | 621.33 | Joback Calculated Property |
| Cp,gas | 299.45 | J/mol×K | 650.39 | Joback Calculated Property |
| Cp,gas | 305.96 | J/mol×K | 679.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-5-(trifluoromethyl)benzyl alcohol.
Sources
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