- InChI
- InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
- InChI Key
- MOOUWXDQAUXZRG-UHFFFAOYSA-N
- Formula
- C8H7F3O
- SMILES
- OCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 176.14
- CAS
- 349-95-1
- Other Names
-
- p-Trifluoromethylbenzyl alcohol
- Benzenemethanol, 4-(trifluoromethyl)-
- 4-(Trifluoromethyl)benzylic alcohol
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | -599.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.198 | Crippen Calculated Property | |
| McVol | 111.000 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Tboil | 456.52 | K | Relay (1.0) Calculated Property |
| Tc | 673.71 | K | Relay (1.0) Calculated Property |
| Tfus | 328.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.83; 301.34] | J/mol×K | [500.86; 682.55] | 
|
| Cp,gas | 251.83 | J/mol×K | 500.86 | Joback Calculated Property |
| Cp,gas | 261.52 | J/mol×K | 531.14 | Joback Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 561.42 | Joback Calculated Property |
| Cp,gas | 279.08 | J/mol×K | 591.71 | Joback Calculated Property |
| Cp,gas | 287.01 | J/mol×K | 621.99 | Joback Calculated Property |
| Cp,gas | 294.42 | J/mol×K | 652.27 | Joback Calculated Property |
| Cp,gas | 301.34 | J/mol×K | 682.55 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 352.50 ± 0.50 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)benzyl alcohol.
Sources
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