- InChI
- InChI=1S/C20H29FO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-16-12-11-15(21)14-17(16)24-4/h11-12,14H,5-10,13H2,1-4H3
- InChI Key
- ZGGLXTPQIQFBIG-UHFFFAOYSA-N
- Formula
- C20H29FO5
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc(F)cc1OC - Molecular Weight1
- 368.44
- 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° | -554.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1069.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 291.420 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | 2254.00 | NIST | |
| Tboil | 864.68 | K | Joback Calculated Property |
| Tc | 1067.42 | K | Joback Calculated Property |
| Tfus | 536.18 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [914.50; 988.84] | J/mol×K | [864.68; 1067.42] | 
|
| Cp,gas | 914.50 | J/mol×K | 864.68 | Joback Calculated Property |
| Cp,gas | 929.76 | J/mol×K | 898.47 | Joback Calculated Property |
| Cp,gas | 943.84 | J/mol×K | 932.26 | Joback Calculated Property |
| Cp,gas | 956.77 | J/mol×K | 966.05 | Joback Calculated Property |
| Cp,gas | 968.56 | J/mol×K | 999.84 | Joback Calculated Property |
| Cp,gas | 979.25 | J/mol×K | 1033.63 | Joback Calculated Property |
| Cp,gas | 988.84 | J/mol×K | 1067.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl hexyl ester.
Sources
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