- InChI
- InChI=1S/C9H7F3O2/c10-9(11,12)8-3-1-7(2-4-8)5-14-6-13/h1-4,6H,5H2
- InChI Key
- CUWCYYQKSPWPFB-UHFFFAOYSA-N
- Formula
- C9H7F3O2
- SMILES
- O=COCc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 204.15
- 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° | -658.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 126.660 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | 1120.00 | NIST | |
| Tboil | 502.64 | K | Joback Calculated Property |
| Tc | 695.94 | K | Joback Calculated Property |
| Tfus | 298.55 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.99; 342.73] | J/mol×K | [502.64; 695.94] | 
|
| Cp,gas | 285.99 | J/mol×K | 502.64 | Joback Calculated Property |
| Cp,gas | 297.05 | J/mol×K | 534.86 | Joback Calculated Property |
| Cp,gas | 307.44 | J/mol×K | 567.07 | Joback Calculated Property |
| Cp,gas | 317.18 | J/mol×K | 599.29 | Joback Calculated Property |
| Cp,gas | 326.29 | J/mol×K | 631.50 | Joback Calculated Property |
| Cp,gas | 334.80 | J/mol×K | 663.72 | Joback Calculated Property |
| Cp,gas | 342.73 | J/mol×K | 695.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (4-(trifluoromethyl)phenyl)methyl ester.
Sources
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