- InChI
- InChI=1S/C12H15F3O/c1-9(2)7-16-8-10-3-5-11(6-4-10)12(13,14)15/h3-6,9H,7-8H2,1-2H3
- InChI Key
- DMRYYNFUVUSSOF-UHFFFAOYSA-N
- Formula
- C12H15F3O
- SMILES
- CC(C)COCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 232.24
- 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 | 0.5209 | Relay (... Calculated Property | |
| ΔfG° | -536.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -848.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -3.31 | Relay (... Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 167.360 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Inp | 1230.00 | NIST | |
| Tboil | 479.88 | K | Relay (... Calculated Property |
| Tc | 676.45 | K | Relay (... Calculated Property |
| Tfus | 278.78 | K | Relay (... Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.24; 480.17] | J/mol×K | [522.18; 708.20] | 
|
| Cp,gas | 400.24 | J/mol×K | 522.18 | Joback Calculated Property |
| Cp,gas | 415.54 | J/mol×K | 553.18 | Joback Calculated Property |
| Cp,gas | 430.01 | J/mol×K | 584.19 | Joback Calculated Property |
| Cp,gas | 443.67 | J/mol×K | 615.19 | Joback Calculated Property |
| Cp,gas | 456.57 | J/mol×K | 646.19 | Joback Calculated Property |
| Cp,gas | 468.73 | J/mol×K | 677.19 | Joback Calculated Property |
| Cp,gas | 480.17 | J/mol×K | 708.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, 2-methylpropyl ether.
Sources
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