- InChI
- InChI=1S/C11H11F3O3/c12-11(13,14)10(15)17-8-4-7-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- NKHOOSPTQZZMDE-UHFFFAOYSA-N
- Formula
- C11H11F3O3
- SMILES
- O=C(OCCCOc1ccccc1)C(F)(F)F
- Molecular Weight1
- 248.20
- 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° | -766.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.561 | Crippen Calculated Property | |
| McVol | 160.710 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [1330.00; 1330.00] |
|
|
| Inp | 1330.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Tboil | 571.05 | K | Joback Calculated Property |
| Tc | 761.63 | K | Joback Calculated Property |
| Tfus | 338.73 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.22; 465.96] | J/mol×K | [571.05; 761.63] |
|
| Cp,gas | 399.22 | J/mol×K | 571.05 | Joback Calculated Property |
| Cp,gas | 412.18 | J/mol×K | 602.81 | Joback Calculated Property |
| Cp,gas | 424.37 | J/mol×K | 634.58 | Joback Calculated Property |
| Cp,gas | 435.82 | J/mol×K | 666.34 | Joback Calculated Property |
| Cp,gas | 446.56 | J/mol×K | 698.10 | Joback Calculated Property |
| Cp,gas | 456.60 | J/mol×K | 729.86 | Joback Calculated Property |
| Cp,gas | 465.96 | J/mol×K | 761.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenoxypropyl 2,2,2-trifluoroacetate.
Sources
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