- InChI
- InChI=1S/C9H7F3O3/c10-9(11,12)15-8-3-1-7(2-4-8)5-14-6-13/h1-4,6H,5H2
- InChI Key
- MVKBKJBJPHYVJC-UHFFFAOYSA-N
- Formula
- C9H7F3O3
- SMILES
- O=COCc1ccc(OC(F)(F)F)cc1
- Molecular Weight1
- 220.15
- 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° | -763.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.258 | Crippen Calculated Property | |
| McVol | 132.530 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1130.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Tboil | 525.06 | K | Joback Calculated Property |
| Tc | 717.00 | K | Joback Calculated Property |
| Tfus | 320.78 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.75; 364.66] | J/mol×K | [525.06; 717.00] |
|
| Cp,gas | 308.75 | J/mol×K | 525.06 | Joback Calculated Property |
| Cp,gas | 319.55 | J/mol×K | 557.05 | Joback Calculated Property |
| Cp,gas | 329.74 | J/mol×K | 589.04 | Joback Calculated Property |
| Cp,gas | 339.33 | J/mol×K | 621.03 | Joback Calculated Property |
| Cp,gas | 348.34 | J/mol×K | 653.02 | Joback Calculated Property |
| Cp,gas | 356.78 | J/mol×K | 685.01 | Joback Calculated Property |
| Cp,gas | 364.66 | J/mol×K | 717.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (4-(trifluoromethoxy)phenyl)methyl ester.
Sources
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