- InChI
- InChI=1S/C22H33FO5/c1-5-8-9-10-11-12-15-27-20(24)22(6-2,7-3)21(25)28-18-14-13-17(23)16-19(18)26-4/h13-14,16H,5-12,15H2,1-4H3
- InChI Key
- BFARZKQPTJCKSD-UHFFFAOYSA-N
- Formula
- C22H33FO5
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(F)cc1OC - Molecular Weight1
- 396.49
- 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° | -537.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1110.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.450 | Crippen Calculated Property | |
| McVol | 319.600 | ml/mol | McGowan Calculated Property |
| Pc | 1126.08 | kPa | Joback Calculated Property |
| Inp | 2441.00 | NIST | |
| Tboil | 910.44 | K | Joback Calculated Property |
| Tc | 1117.32 | K | Joback Calculated Property |
| Tfus | 558.72 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1033.83; 1108.91] | J/mol×K | [910.44; 1117.32] | 
|
| Cp,gas | 1033.83 | J/mol×K | 910.44 | Joback Calculated Property |
| Cp,gas | 1049.47 | J/mol×K | 944.92 | Joback Calculated Property |
| Cp,gas | 1063.83 | J/mol×K | 979.40 | Joback Calculated Property |
| Cp,gas | 1076.92 | J/mol×K | 1013.88 | Joback Calculated Property |
| Cp,gas | 1088.78 | J/mol×K | 1048.36 | Joback Calculated Property |
| Cp,gas | 1099.43 | J/mol×K | 1082.84 | Joback Calculated Property |
| Cp,gas | 1108.91 | J/mol×K | 1117.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl octyl ester.
Sources
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