- InChI
- InChI=1S/C20H20F2O4/c21-17-5-1-15(2-6-17)11-13-25-19(23)9-10-20(24)26-14-12-16-3-7-18(22)8-4-16/h1-8H,9-14H2
- InChI Key
- UJZLPQFPMMBXCZ-UHFFFAOYSA-N
- Formula
- C20H20F2O4
- SMILES
-
O=C(CCC(=O)OCCc1ccc(F)cc1)OCCc
1ccc(F)cc1 - Molecular Weight1
- 362.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 49.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.617 | Crippen Calculated Property | |
| McVol | 263.560 | ml/mol | McGowan Calculated Property |
| Inp | [2562.00; 2562.00] |
|
|
| Inp | 2562.00 | NIST | |
| Inp | 2562.00 | NIST | |
| Tboil | 670.36 | K | Relay (1.0) Calculated Property |
| Tfus | 323.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.24; 848.18] | J/mol×K | [835.50; 1043.79] |
|
| Cp,gas | 785.24 | J/mol×K | 835.50 | Joback Calculated Property |
| Cp,gas | 798.70 | J/mol×K | 870.22 | Joback Calculated Property |
| Cp,gas | 810.93 | J/mol×K | 904.93 | Joback Calculated Property |
| Cp,gas | 821.96 | J/mol×K | 939.65 | Joback Calculated Property |
| Cp,gas | 831.82 | J/mol×K | 974.36 | Joback Calculated Property |
| Cp,gas | 840.55 | J/mol×K | 1009.08 | Joback Calculated Property |
| Cp,gas | 848.18 | J/mol×K | 1043.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-fluorophenethyl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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