- InChI
- InChI=1S/C19H24F4O4/c1-4-7-8-12-26-16(24)18(5-2,6-3)17(25)27-14-11-9-10-13(15(14)20)19(21,22)23/h9-11H,4-8,12H2,1-3H3
- InChI Key
- BJTLIIBRCDTWLZ-UHFFFAOYSA-N
- Formula
- C19H24F4O4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
cc(C(F)(F)F)c1F - Molecular Weight1
- 392.39
- 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° | -1039.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1513.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 5.290 | Crippen Calculated Property | |
| McVol | 276.770 | ml/mol | McGowan Calculated Property |
| Pc | 1283.75 | kPa | Joback Calculated Property |
| Inp | 1909.00 | NIST | |
| Tboil | 813.96 | K | Joback Calculated Property |
| Tc | 1006.93 | K | Joback Calculated Property |
| Tfus | 506.87 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.90; 923.28] | J/mol×K | [813.96; 1006.93] | 
|
| Cp,gas | 850.90 | J/mol×K | 813.96 | Joback Calculated Property |
| Cp,gas | 865.26 | J/mol×K | 846.12 | Joback Calculated Property |
| Cp,gas | 878.65 | J/mol×K | 878.28 | Joback Calculated Property |
| Cp,gas | 891.10 | J/mol×K | 910.44 | Joback Calculated Property |
| Cp,gas | 902.65 | J/mol×K | 942.60 | Joback Calculated Property |
| Cp,gas | 913.36 | J/mol×K | 974.77 | Joback Calculated Property |
| Cp,gas | 923.28 | J/mol×K | 1006.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl pentyl ester.
Sources
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