- InChI
- InChI=1S/C8H5F3O2/c9-6-1-2-7(10)8(11)5(6)3-13-4-12/h1-2,4H,3H2
- InChI Key
- RCDQDOHXUOHABJ-UHFFFAOYSA-N
- Formula
- C8H5F3O2
- SMILES
- O=COCc1c(F)ccc(F)c1F
- Molecular Weight1
- 190.12
- 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° | -688.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 1.777 | Crippen Calculated Property | |
| McVol | 112.570 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Inp | 1098.00 | NIST | |
| Tboil | 492.95 | K | Joback Calculated Property |
| Tc | 679.37 | K | Joback Calculated Property |
| Tfus | 309.90 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.54; 286.24] | J/mol×K | [492.95; 679.37] | 
|
| Cp,gas | 240.54 | J/mol×K | 492.95 | Joback Calculated Property |
| Cp,gas | 249.03 | J/mol×K | 524.02 | Joback Calculated Property |
| Cp,gas | 257.18 | J/mol×K | 555.09 | Joback Calculated Property |
| Cp,gas | 264.97 | J/mol×K | 586.16 | Joback Calculated Property |
| Cp,gas | 272.41 | J/mol×K | 617.23 | Joback Calculated Property |
| Cp,gas | 279.50 | J/mol×K | 648.30 | Joback Calculated Property |
| Cp,gas | 286.24 | J/mol×K | 679.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (2,3,6-trifluorophenyl)methyl ester.
Sources
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