- InChI
- InChI=1S/C20H13F3O3/c1-25-19-17(22)15(11-16(21)18(19)23)20(24)26-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3
- InChI Key
- RWANLUGHJXIBLA-UHFFFAOYSA-N
- Formula
- C20H13F3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2ccc(-c3
ccccc3)cc2)c1F - Molecular Weight1
- 358.31
- 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° | -516.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 4.999 | Crippen Calculated Property | |
| McVol | 240.000 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Inp | 2654.00 | NIST | |
| Tboil | 858.46 | K | Joback Calculated Property |
| Tc | 1088.20 | K | Joback Calculated Property |
| Tfus | 553.18 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.32; 743.88] | J/mol×K | [858.46; 1088.20] | 
|
| Cp,gas | 688.32 | J/mol×K | 858.46 | Joback Calculated Property |
| Cp,gas | 700.61 | J/mol×K | 896.75 | Joback Calculated Property |
| Cp,gas | 711.64 | J/mol×K | 935.04 | Joback Calculated Property |
| Cp,gas | 721.46 | J/mol×K | 973.33 | Joback Calculated Property |
| Cp,gas | 730.09 | J/mol×K | 1011.62 | Joback Calculated Property |
| Cp,gas | 737.56 | J/mol×K | 1049.91 | Joback Calculated Property |
| Cp,gas | 743.88 | J/mol×K | 1088.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 4-biphenyl ester.
Sources
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