- InChI
- InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
- InChI Key
- VNOMEAQPOMDWSR-UHFFFAOYSA-N
- Formula
- C8H7F3O
- SMILES
- OC(c1ccccc1)C(F)(F)F
- Molecular Weight1
- 176.14
- CAS
- 340-04-5
- Other Names
-
- Benzeneethanol, «alpha»-trifluoromethyl
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5044 | Relay (1.0) Calculated Property | |
| ΔfG° | -591.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.282 | Crippen Calculated Property | |
| McVol | 111.000 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | 1054.00 | NIST | |
| Tboil | 432.46 | K | Relay (1.0) Calculated Property |
| Tc | 647.78 | K | Relay (1.0) Calculated Property |
| Tfus | 288.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.18; 304.42] | J/mol×K | [495.44; 679.83] | 
|
| Cp,gas | 252.18 | J/mol×K | 495.44 | Joback Calculated Property |
| Cp,gas | 262.51 | J/mol×K | 526.17 | Joback Calculated Property |
| Cp,gas | 272.14 | J/mol×K | 556.90 | Joback Calculated Property |
| Cp,gas | 281.12 | J/mol×K | 587.63 | Joback Calculated Property |
| Cp,gas | 289.46 | J/mol×K | 618.36 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 649.09 | Joback Calculated Property |
| Cp,gas | 304.42 | J/mol×K | 679.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2,2,2-trifluoroethanol.
Sources
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