- InChI
- InChI=1S/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3
- InChI Key
- WRNVSUJHRFXTKQ-UHFFFAOYSA-N
- Formula
- C9H7F3O3
- SMILES
- COC(=O)c1cc(F)c(F)c(OC)c1F
- 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° | -824.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 1.899 | Crippen Calculated Property | |
| McVol | 132.530 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | 1262.00 | NIST | |
| Tboil | 548.44 | K | Joback Calculated Property |
| Tc | 737.08 | K | Joback Calculated Property |
| Tfus | 363.85 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.15; 354.03] | J/mol×K | [548.44; 737.08] | 
|
| Cp,gas | 302.15 | J/mol×K | 548.44 | Joback Calculated Property |
| Cp,gas | 311.72 | J/mol×K | 579.88 | Joback Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 611.32 | Joback Calculated Property |
| Cp,gas | 329.80 | J/mol×K | 642.76 | Joback Calculated Property |
| Cp,gas | 338.28 | J/mol×K | 674.20 | Joback Calculated Property |
| Cp,gas | 346.36 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 354.03 | J/mol×K | 737.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, methyl ester.
Sources
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