- InChI
- InChI=1S/C13H17F3O/c1-10(2)7-8-17-9-11-3-5-12(6-4-11)13(14,15)16/h3-6,10H,7-9H2,1-2H3
- InChI Key
- ARECSLYCXPRNAF-UHFFFAOYSA-N
- Formula
- C13H17F3O
- SMILES
- CC(C)CCOCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 246.27
- 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 | 0.5574 | Relay (1.0) Calculated Property | |
| ΔfG° | -527.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 181.450 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | [1336.00; 1336.00] |
|
|
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Tboil | 492.54 | K | Relay (1.0) Calculated Property |
| Tc | 691.22 | K | Relay (1.0) Calculated Property |
| Tfus | 277.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.25; 531.53] | J/mol×K | [545.06; 729.04] |
|
| Cp,gas | 448.25 | J/mol×K | 545.06 | Joback Calculated Property |
| Cp,gas | 464.16 | J/mol×K | 575.72 | Joback Calculated Property |
| Cp,gas | 479.22 | J/mol×K | 606.39 | Joback Calculated Property |
| Cp,gas | 493.46 | J/mol×K | 637.05 | Joback Calculated Property |
| Cp,gas | 506.90 | J/mol×K | 667.72 | Joback Calculated Property |
| Cp,gas | 519.58 | J/mol×K | 698.38 | Joback Calculated Property |
| Cp,gas | 531.53 | J/mol×K | 729.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, 3-methylbutyl ether.
Sources
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