- InChI
- InChI=1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H
- InChI Key
- DVCMYAIUSOSIQP-UHFFFAOYSA-N
- Formula
- C8H5F3O2
- SMILES
- O=C(Oc1ccccc1)C(F)(F)F
- Molecular Weight1
- 190.12
- CAS
- 500-73-2
- Other Names
-
- Phenyl 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° | -686.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.154 | Crippen Calculated Property | |
| McVol | 112.570 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [859.00; 859.00] |
|
|
| Inp | 859.00 | NIST | |
| Inp | 859.00 | NIST | |
| Tboil | 479.99 | K | Joback Calculated Property |
| Tc | 679.57 | K | Joback Calculated Property |
| Tfus | 282.69 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.57; 296.98] | J/mol×K | [479.99; 679.57] |
|
| Cp,gas | 242.57 | J/mol×K | 479.99 | Joback Calculated Property |
| Cp,gas | 253.35 | J/mol×K | 513.25 | Joback Calculated Property |
| Cp,gas | 263.40 | J/mol×K | 546.52 | Joback Calculated Property |
| Cp,gas | 272.76 | J/mol×K | 579.78 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 613.04 | Joback Calculated Property |
| Cp,gas | 289.52 | J/mol×K | 646.30 | Joback Calculated Property |
| Cp,gas | 296.98 | J/mol×K | 679.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, phenyl ester.
Sources
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