- InChI
- InChI=1S/C21H28F4O4/c1-4-7-8-9-10-14-28-18(26)20(5-2,6-3)19(27)29-16-13-11-12-15(17(16)22)21(23,24)25/h11-13H,4-10,14H2,1-3H3
- InChI Key
- KCBYWAKNFUGMQJ-UHFFFAOYSA-N
- Formula
- C21H28F4O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
cccc(C(F)(F)F)c1F - Molecular Weight1
- 420.44
- 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° | -1022.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1554.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 6.070 | Crippen Calculated Property | |
| McVol | 304.950 | ml/mol | McGowan Calculated Property |
| Pc | 1123.81 | kPa | Joback Calculated Property |
| Inp | 2090.00 | NIST | |
| Tboil | 859.72 | K | Joback Calculated Property |
| Tc | 1056.32 | K | Joback Calculated Property |
| Tfus | 529.41 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.28; 1042.58] | J/mol×K | [859.72; 1056.32] | 
|
| Cp,gas | 967.28 | J/mol×K | 859.72 | Joback Calculated Property |
| Cp,gas | 982.27 | J/mol×K | 892.49 | Joback Calculated Property |
| Cp,gas | 996.22 | J/mol×K | 925.25 | Joback Calculated Property |
| Cp,gas | 1009.17 | J/mol×K | 958.02 | Joback Calculated Property |
| Cp,gas | 1021.17 | J/mol×K | 990.79 | Joback Calculated Property |
| Cp,gas | 1032.29 | J/mol×K | 1023.56 | Joback Calculated Property |
| Cp,gas | 1042.58 | J/mol×K | 1056.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptyl ester.
Sources
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