- InChI
- InChI=1S/C11H11F3O3/c1-8(7-16-10(15)11(12,13)14)17-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
- InChI Key
- UBTDLURMVATLHL-UHFFFAOYSA-N
- Formula
- C11H11F3O3
- SMILES
- CC(COC(=O)C(F)(F)F)Oc1ccccc1
- 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° | -768.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1013.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.79 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.559 | Crippen Calculated Property | |
| McVol | 160.710 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | [1205.00; 1205.00] |
|
|
| Inp | 1205.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Tboil | 570.61 | K | Joback Calculated Property |
| Tc | 764.95 | K | Joback Calculated Property |
| Tfus | 323.73 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.60; 467.66] | J/mol×K | [570.61; 764.95] |
|
| Cp,gas | 399.60 | J/mol×K | 570.61 | Joback Calculated Property |
| Cp,gas | 412.87 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 425.33 | J/mol×K | 635.39 | Joback Calculated Property |
| Cp,gas | 437.02 | J/mol×K | 667.78 | Joback Calculated Property |
| Cp,gas | 447.96 | J/mol×K | 700.17 | Joback Calculated Property |
| Cp,gas | 458.16 | J/mol×K | 732.56 | Joback Calculated Property |
| Cp,gas | 467.66 | J/mol×K | 764.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroaceic acid, 2-phenoxypropyl ester.
Sources
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