- InChI
- InChI=1S/C9H7F3O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- HDYQLGLEPPGPEV-UHFFFAOYSA-N
- Formula
- C9H7F3O2
- SMILES
- O=C(OCc1ccccc1)C(F)(F)F
- Molecular Weight1
- 204.15
- CAS
- 351-70-2
- Other Names
-
- Acetic acid, trifluoro-, benzyl ester
- Benzyl trifluoroacetate
- Trifluoroacetic acid, benzyl ester
- Benzenemethanol, 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° | -678.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 126.660 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [988.00; 988.00] |
|
|
| Inp | 988.00 | NIST | |
| Inp | 988.00 | NIST | |
| Tboil | 502.87 | K | Joback Calculated Property |
| Tc | 699.87 | K | Joback Calculated Property |
| Tfus | 293.96 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.68; 344.26] | J/mol×K | [502.87; 699.87] |
|
| Cp,gas | 284.68 | J/mol×K | 502.87 | Joback Calculated Property |
| Cp,gas | 296.41 | J/mol×K | 535.70 | Joback Calculated Property |
| Cp,gas | 307.38 | J/mol×K | 568.54 | Joback Calculated Property |
| Cp,gas | 317.62 | J/mol×K | 601.37 | Joback Calculated Property |
| Cp,gas | 327.16 | J/mol×K | 634.20 | Joback Calculated Property |
| Cp,gas | 336.03 | J/mol×K | 667.03 | Joback Calculated Property |
| Cp,gas | 344.26 | J/mol×K | 699.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, phenylmethyl ester.
Sources
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