- InChI
- InChI=1S/C11H13F3O/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8H,7H2,1-2H3
- InChI Key
- LCONMZAIEAWMSG-UHFFFAOYSA-N
- Formula
- C11H13F3O
- SMILES
- CC(C)OCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 218.22
- 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° | -544.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.630 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [1141.00; 1141.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Tboil | 499.30 | K | Joback Calculated Property |
| Tc | 687.43 | K | Joback Calculated Property |
| Tfus | 264.09 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.96; 430.03] | J/mol×K | [499.30; 687.43] |
|
| Cp,gas | 353.96 | J/mol×K | 499.30 | Joback Calculated Property |
| Cp,gas | 368.54 | J/mol×K | 530.66 | Joback Calculated Property |
| Cp,gas | 382.33 | J/mol×K | 562.01 | Joback Calculated Property |
| Cp,gas | 395.34 | J/mol×K | 593.37 | Joback Calculated Property |
| Cp,gas | 407.61 | J/mol×K | 624.72 | Joback Calculated Property |
| Cp,gas | 419.16 | J/mol×K | 656.08 | Joback Calculated Property |
| Cp,gas | 430.03 | J/mol×K | 687.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, isopropyl ether.
Sources
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