- InChI
- InChI=1S/C21H15F3O3/c22-21(23,24)17-8-4-7-16(13-17)20(25)27-19-11-9-18(10-12-19)26-14-15-5-2-1-3-6-15/h1-13H,14H2
- InChI Key
- KTHPIWRLODIPDU-UHFFFAOYSA-N
- Formula
- C21H15F3O3
- SMILES
-
O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc
cc(C(F)(F)F)c1 - Molecular Weight1
- 372.34
- 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° | -476.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 5.504 | Crippen Calculated Property | |
| McVol | 254.090 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | 2539.00 | NIST | |
| Tboil | 863.17 | K | Joback Calculated Property |
| Tc | 1097.39 | K | Joback Calculated Property |
| Tfus | 529.31 | K | Joback Calculated Property |
| Vc | 0.973 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.82; 809.98] | J/mol×K | [863.17; 1097.39] | 
|
| Cp,gas | 749.82 | J/mol×K | 863.17 | Joback Calculated Property |
| Cp,gas | 762.78 | J/mol×K | 902.21 | Joback Calculated Property |
| Cp,gas | 774.45 | J/mol×K | 941.24 | Joback Calculated Property |
| Cp,gas | 784.92 | J/mol×K | 980.28 | Joback Calculated Property |
| Cp,gas | 794.28 | J/mol×K | 1019.32 | Joback Calculated Property |
| Cp,gas | 802.60 | J/mol×K | 1058.35 | Joback Calculated Property |
| Cp,gas | 809.98 | J/mol×K | 1097.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester.
Sources
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