- InChI
- InChI=1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3
- InChI Key
- VGHBIJJTMFYTPY-UHFFFAOYSA-N
- Formula
- C9H9F3O
- SMILES
- CC(O)c1ccccc1C(F)(F)F
- Molecular Weight1
- 190.16
- CAS
- 79756-81-3
- Other Names
-
- Benzyl alcohol, «alpha»-methyl-o-(trifluoromethyl)-
- «alpha»-Methyl-2-(trifluoromethyl)benzyl alcohol
- «alpha»-Methyl-o-trifluoromethylbenzyl alcohol
- 1-[2-(Trifluoromethyl)phenyl]ethanol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5567 | Relay (... Calculated Property | |
| ΔfG° | -593.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.53 | eV | Relay (... Calculated Property |
| log10WS | -1.18 | Relay (... Calculated Property | |
| logPoct/wat | 2.759 | Crippen Calculated Property | |
| McVol | 125.090 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Tboil | 454.37 | K | Relay (... Calculated Property |
| Tc | 655.03 | K | Relay (... Calculated Property |
| Tfus | 311.24 | K | Relay (... Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.15; 350.54] | J/mol×K | [523.30; 706.82] | 
|
| Cp,gas | 295.15 | J/mol×K | 523.30 | Joback Calculated Property |
| Cp,gas | 305.96 | J/mol×K | 553.89 | Joback Calculated Property |
| Cp,gas | 316.10 | J/mol×K | 584.47 | Joback Calculated Property |
| Cp,gas | 325.59 | J/mol×K | 615.06 | Joback Calculated Property |
| Cp,gas | 334.47 | J/mol×K | 645.65 | Joback Calculated Property |
| Cp,gas | 342.78 | J/mol×K | 676.24 | Joback Calculated Property |
| Cp,gas | 350.54 | J/mol×K | 706.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.50 ± 0.50 | K | 0.30 | NIST |
Similar Compounds
![1-[(3-Trifluoromethyl)phenyl]propanol-1.](data:image/png;base64,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)
Find more compounds similar to Benzenemethanol, «alpha»-methyl-2-(trifluoromethyl)-.
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