- InChI
- InChI=1S/C13H17F3O/c1-2-3-4-9-17-10-11-5-7-12(8-6-11)13(14,15)16/h5-8H,2-4,9-10H2,1H3
- InChI Key
- RYOMOXNDDLHZJM-UHFFFAOYSA-N
- Formula
- C13H17F3O
- SMILES
- CCCCCOCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 246.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -525.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 181.450 | ml/mol | McGowan Calculated Property |
| Pc | 1918.62 | kPa | Joback Calculated Property |
| Inp | 1375.00 | NIST | |
| Tboil | 545.50 | K | Joback Calculated Property |
| Tc | 725.96 | K | Joback Calculated Property |
| Tfus | 301.63 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.97; 529.62] | J/mol×K | [545.50; 725.96] | 
|
| Cp,gas | 447.97 | J/mol×K | 545.50 | Joback Calculated Property |
| Cp,gas | 463.52 | J/mol×K | 575.58 | Joback Calculated Property |
| Cp,gas | 478.25 | J/mol×K | 605.65 | Joback Calculated Property |
| Cp,gas | 492.20 | J/mol×K | 635.73 | Joback Calculated Property |
| Cp,gas | 505.39 | J/mol×K | 665.80 | Joback Calculated Property |
| Cp,gas | 517.86 | J/mol×K | 695.88 | Joback Calculated Property |
| Cp,gas | 529.62 | J/mol×K | 725.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, n-pentyl ether.
Sources
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