- InChI
- InChI=1S/C20H19F3O5/c1-13(2)11-26-18(24)16-5-3-4-6-17(16)19(25)27-12-14-7-9-15(10-8-14)28-20(21,22)23/h3-10,13H,11-12H2,1-2H3
- InChI Key
- XMPGFYPGGRSAEO-UHFFFAOYSA-N
- Formula
- C20H19F3O5
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
cc(OC(F)(F)F)cc1 - Molecular Weight1
- 396.36
- 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° | -833.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1230.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 271.200 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2245.00; 2245.00] |
|
|
| Inp | 2245.00 | NIST | |
| Inp | 2245.00 | NIST | |
| Tboil | 889.46 | K | Joback Calculated Property |
| Tc | 1105.60 | K | Joback Calculated Property |
| Tfus | 548.78 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.74; 887.11] | J/mol×K | [889.46; 1105.60] |
|
| Cp,gas | 830.74 | J/mol×K | 889.46 | Joback Calculated Property |
| Cp,gas | 843.09 | J/mol×K | 925.48 | Joback Calculated Property |
| Cp,gas | 854.21 | J/mol×K | 961.51 | Joback Calculated Property |
| Cp,gas | 864.13 | J/mol×K | 997.53 | Joback Calculated Property |
| Cp,gas | 872.90 | J/mol×K | 1033.55 | Joback Calculated Property |
| Cp,gas | 880.55 | J/mol×K | 1069.57 | Joback Calculated Property |
| Cp,gas | 887.11 | J/mol×K | 1105.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl 4-trifluoromethoxybenzyl ester.
Sources
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