- InChI
- InChI=1S/C20H27F3O4/c1-4-7-8-13-26-17(24)19(5-2,6-3)18(25)27-14-15-9-11-16(12-10-15)20(21,22)23/h9-12H,4-8,13-14H2,1-3H3
- InChI Key
- VPXNFOJKZZZSJN-UHFFFAOYSA-N
- Formula
- C20H27F3O4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1c
cc(C(F)(F)F)cc1 - Molecular Weight1
- 388.42
- 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° | -826.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1326.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 5.288 | Crippen Calculated Property | |
| McVol | 289.090 | ml/mol | McGowan Calculated Property |
| Pc | 1251.26 | kPa | Joback Calculated Property |
| Inp | 2036.00 | NIST | |
| Tboil | 832.59 | K | Joback Calculated Property |
| Tc | 1029.58 | K | Joback Calculated Property |
| Tfus | 505.03 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [902.05; 978.13] | J/mol×K | [832.59; 1029.58] | 
|
| Cp,gas | 902.05 | J/mol×K | 832.59 | Joback Calculated Property |
| Cp,gas | 917.16 | J/mol×K | 865.42 | Joback Calculated Property |
| Cp,gas | 931.23 | J/mol×K | 898.25 | Joback Calculated Property |
| Cp,gas | 944.30 | J/mol×K | 931.08 | Joback Calculated Property |
| Cp,gas | 956.44 | J/mol×K | 963.92 | Joback Calculated Property |
| Cp,gas | 967.70 | J/mol×K | 996.75 | Joback Calculated Property |
| Cp,gas | 978.13 | J/mol×K | 1029.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentyl 4-trifluoromethylbenzyl ester.
Sources
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