- InChI
- InChI=1S/C11H13F3O/c1-2-7-15-8-9-3-5-10(6-4-9)11(12,13)14/h3-6H,2,7-8H2,1H3
- InChI Key
- XKRKETPJASPHRZ-UHFFFAOYSA-N
- Formula
- C11H13F3O
- SMILES
- CCCOCc1ccc(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° | -542.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.632 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | 1182.00 | NIST | |
| Tboil | 499.74 | K | Joback Calculated Property |
| Tc | 683.95 | K | Joback Calculated Property |
| Tfus | 279.09 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.75; 428.15] | J/mol×K | [499.74; 683.95] | 
|
| Cp,gas | 353.75 | J/mol×K | 499.74 | Joback Calculated Property |
| Cp,gas | 367.96 | J/mol×K | 530.44 | Joback Calculated Property |
| Cp,gas | 381.42 | J/mol×K | 561.14 | Joback Calculated Property |
| Cp,gas | 394.13 | J/mol×K | 591.85 | Joback Calculated Property |
| Cp,gas | 406.14 | J/mol×K | 622.55 | Joback Calculated Property |
| Cp,gas | 417.47 | J/mol×K | 653.25 | Joback Calculated Property |
| Cp,gas | 428.15 | J/mol×K | 683.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, n-propyl ether.
Sources
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