- InChI
- InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
- InChI Key
- BAYGVMXZJBFEMB-UHFFFAOYSA-N
- Formula
- C7H5F3O
- SMILES
- Oc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 162.11
- CAS
- 402-45-9
- Other Names
-
- «alpha»,«alpha»,«alpha»-Trifluoro-p-cresol
- 4-Hydroxybenzotrifluoride
- p-Hydroxybenzotrifluoride
- Phenol, 4-(trifluoromethyl)-
- Alpha,alpha,alpha-trifluoro-p-cresol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -615.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 96.910 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Tboil | 461.44 | K | Joback Calculated Property |
| Tc | 669.45 | K | Joback Calculated Property |
| Tfus | 310.98 | K | Joback Calculated Property |
| Vc | 0.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.51; 261.74] | J/mol×K | [461.44; 669.45] | 
|
| Cp,gas | 212.51 | J/mol×K | 461.44 | Joback Calculated Property |
| Cp,gas | 222.79 | J/mol×K | 496.11 | Joback Calculated Property |
| Cp,gas | 232.14 | J/mol×K | 530.78 | Joback Calculated Property |
| Cp,gas | 240.62 | J/mol×K | 565.44 | Joback Calculated Property |
| Cp,gas | 248.33 | J/mol×K | 600.11 | Joback Calculated Property |
| Cp,gas | 255.34 | J/mol×K | 634.78 | Joback Calculated Property |
| Cp,gas | 261.74 | J/mol×K | 669.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)-phenol.
Sources
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