- InChI
- InChI=1S/C21H21F3O5/c1-2-3-6-13-27-19(25)17-7-4-5-8-18(17)20(26)28-14-15-9-11-16(12-10-15)29-21(22,23)24/h4-5,7-12H,2-3,6,13-14H2,1H3
- InChI Key
- ZQQAFYJDQOSLEU-UHFFFAOYSA-N
- Formula
- C21H21F3O5
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
c(OC(F)(F)F)cc1 - Molecular Weight1
- 410.38
- 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° | -822.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1245.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.19 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.289 | Crippen Calculated Property | |
| McVol | 285.290 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | 2372.00 | NIST | |
| Tboil | 912.78 | K | Joback Calculated Property |
| Tc | 1127.40 | K | Joback Calculated Property |
| Tfus | 575.05 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.73; 944.47] | J/mol×K | [912.78; 1127.40] | 
|
| Cp,gas | 887.73 | J/mol×K | 912.78 | Joback Calculated Property |
| Cp,gas | 900.14 | J/mol×K | 948.55 | Joback Calculated Property |
| Cp,gas | 911.31 | J/mol×K | 984.32 | Joback Calculated Property |
| Cp,gas | 921.29 | J/mol×K | 1020.09 | Joback Calculated Property |
| Cp,gas | 930.11 | J/mol×K | 1055.86 | Joback Calculated Property |
| Cp,gas | 937.82 | J/mol×K | 1091.63 | Joback Calculated Property |
| Cp,gas | 944.47 | J/mol×K | 1127.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentyl 4-trifluoromethoxybenzyl ester.
Sources
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