- InChI
- InChI=1S/C32H50F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-39-29(37)31(5-2,6-3)30(38)40-27-24-22-23-26(28(27)33)32(34,35)36/h22-24H,4-21,25H2,1-3H3
- InChI Key
- FFOAIPWGOBCYMF-UHFFFAOYSA-N
- Formula
- C32H50F4O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)Oc1cccc(C(F)(F)F)c1F - Molecular Weight1
- 574.73
- 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° | -929.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1781.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.88 | kJ/mol | Joback Calculated Property |
| log10WS | -11.47 | Crippen Calculated Property | |
| logPoct/wat | 10.361 | Crippen Calculated Property | |
| McVol | 459.940 | ml/mol | McGowan Calculated Property |
| Pc | 612.99 | kPa | Joback Calculated Property |
| Inp | 3200.00 | NIST | |
| Tboil | 1111.40 | K | Joback Calculated Property |
| Tc | 1401.24 | K | Joback Calculated Property |
| Tfus | 653.38 | K | Joback Calculated Property |
| Vc | 1.817 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1650.10; 1753.20] | J/mol×K | [1111.40; 1401.24] | 
|
| Cp,gas | 1650.10 | J/mol×K | 1111.40 | Joback Calculated Property |
| Cp,gas | 1671.42 | J/mol×K | 1159.71 | Joback Calculated Property |
| Cp,gas | 1690.74 | J/mol×K | 1208.01 | Joback Calculated Property |
| Cp,gas | 1708.31 | J/mol×K | 1256.32 | Joback Calculated Property |
| Cp,gas | 1724.41 | J/mol×K | 1304.63 | Joback Calculated Property |
| Cp,gas | 1739.29 | J/mol×K | 1352.94 | Joback Calculated Property |
| Cp,gas | 1753.20 | J/mol×K | 1401.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl ester.
Sources
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