- InChI
- InChI=1S/C11H19FO4/c1-4-11(5-2,9(13)15-6-3)10(14)16-8-7-12/h4-8H2,1-3H3
- InChI Key
- OFSKSHDIOCVPMK-UHFFFAOYSA-N
- Formula
- C11H19FO4
- SMILES
- CCOC(=O)C(CC)(CC)C(=O)OCCF
- Molecular Weight1
- 234.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -1065.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.869 | Crippen Calculated Property | |
| McVol | 182.500 | ml/mol | McGowan Calculated Property |
| Inp | [1292.00; 1292.00] |
|
|
| Inp | 1292.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Tboil | 511.85 | K | Relay (1.0) Calculated Property |
| Tfus | 253.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [464.98; 541.28] | J/mol×K | [563.76; 738.76] |
|
| Cp,gas | 464.98 | J/mol×K | 563.76 | Joback Calculated Property |
| Cp,gas | 479.47 | J/mol×K | 592.93 | Joback Calculated Property |
| Cp,gas | 493.23 | J/mol×K | 622.09 | Joback Calculated Property |
| Cp,gas | 506.28 | J/mol×K | 651.26 | Joback Calculated Property |
| Cp,gas | 518.63 | J/mol×K | 680.42 | Joback Calculated Property |
| Cp,gas | 530.29 | J/mol×K | 709.59 | Joback Calculated Property |
| Cp,gas | 541.28 | J/mol×K | 738.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 2-fluoroethyl 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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