- InChI
- InChI=1S/C21H21F3O4/c1-2-3-8-13-27-19(25)16-10-5-6-11-17(16)20(26)28-14-15-9-4-7-12-18(15)21(22,23)24/h4-7,9-12H,2-3,8,13-14H2,1H3
- InChI Key
- PVGSUBIKWITIOZ-UHFFFAOYSA-N
- Formula
- C21H21F3O4
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
ccc1C(F)(F)F - Molecular Weight1
- 394.38
- Other Names
-
- Phthalic acid, pentyl 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° | -717.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1113.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 5.409 | Crippen Calculated Property | |
| McVol | 279.420 | ml/mol | McGowan Calculated Property |
| Pc | 1450.14 | kPa | Joback Calculated Property |
| Inp | 2411.00 | NIST | |
| Tboil | 890.36 | K | Joback Calculated Property |
| Tc | 1103.97 | K | Joback Calculated Property |
| Tfus | 552.82 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.77; 922.96] | J/mol×K | [890.36; 1103.97] | 
|
| Cp,gas | 860.77 | J/mol×K | 890.36 | Joback Calculated Property |
| Cp,gas | 873.80 | J/mol×K | 925.96 | Joback Calculated Property |
| Cp,gas | 885.70 | J/mol×K | 961.56 | Joback Calculated Property |
| Cp,gas | 896.51 | J/mol×K | 997.17 | Joback Calculated Property |
| Cp,gas | 906.29 | J/mol×K | 1032.77 | Joback Calculated Property |
| Cp,gas | 915.08 | J/mol×K | 1068.37 | Joback Calculated Property |
| Cp,gas | 922.96 | J/mol×K | 1103.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentyl 2-trifluoromethylbenzyl ester.
Sources
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