- InChI
- InChI=1S/C20H19F3O4/c1-13(2)11-26-18(24)15-8-4-5-9-16(15)19(25)27-12-14-7-3-6-10-17(14)20(21,22)23/h3-10,13H,11-12H2,1-2H3
- InChI Key
- YABJYYNOINOOCC-UHFFFAOYSA-N
- Formula
- C20H19F3O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
cccc1C(F)(F)F - Molecular Weight1
- 380.36
- Other Names
-
- Phthalic acid, isobutyl 2-trifluorobenzyl ester
- 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° | -728.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.17 | kJ/mol | Joback Calculated Property |
| log10WS | -6.18 | Crippen Calculated Property | |
| logPoct/wat | 4.875 | Crippen Calculated Property | |
| McVol | 265.330 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | 2262.00 | NIST | |
| Tboil | 867.04 | K | Joback Calculated Property |
| Tc | 1083.12 | K | Joback Calculated Property |
| Tfus | 526.55 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.98; 865.51] | J/mol×K | [867.04; 1083.12] | 
|
| Cp,gas | 803.98 | J/mol×K | 867.04 | Joback Calculated Property |
| Cp,gas | 816.95 | J/mol×K | 903.05 | Joback Calculated Property |
| Cp,gas | 828.77 | J/mol×K | 939.07 | Joback Calculated Property |
| Cp,gas | 839.48 | J/mol×K | 975.08 | Joback Calculated Property |
| Cp,gas | 849.14 | J/mol×K | 1011.10 | Joback Calculated Property |
| Cp,gas | 857.80 | J/mol×K | 1047.11 | Joback Calculated Property |
| Cp,gas | 865.51 | J/mol×K | 1083.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester.
Sources
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