- InChI
- InChI=1S/C10H9F3O2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- JQKSSRRXELCGQS-UHFFFAOYSA-N
- Formula
- C10H9F3O2
- SMILES
- O=C(OCCc1ccccc1)C(F)(F)F
- Molecular Weight1
- 218.17
- CAS
- 55419-66-4
- Other Names
-
- 1-Trifluoroacetyloxy-2-phenylethane
- 2-Phenylethanol, trifluoroacetate
- 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° | -669.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | 1086.00 | NIST | |
| Tboil | 525.75 | K | Joback Calculated Property |
| Tc | 720.19 | K | Joback Calculated Property |
| Tfus | 305.23 | K | Joback Calculated Property |
| Vc | 0.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.67; 392.79] | J/mol×K | [525.75; 720.19] | 
|
| Cp,gas | 328.67 | J/mol×K | 525.75 | Joback Calculated Property |
| Cp,gas | 341.23 | J/mol×K | 558.16 | Joback Calculated Property |
| Cp,gas | 353.00 | J/mol×K | 590.56 | Joback Calculated Property |
| Cp,gas | 364.01 | J/mol×K | 622.97 | Joback Calculated Property |
| Cp,gas | 374.29 | J/mol×K | 655.38 | Joback Calculated Property |
| Cp,gas | 383.87 | J/mol×K | 687.78 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 720.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, 2-phenylethyl ester.
Sources
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