- InChI
- InChI=1S/C11H18Cl2O4/c1-4-11(5-2,9(14)16-6-3)10(15)17-7-8(12)13/h8H,4-7H2,1-3H3
- InChI Key
- SKSSFYRJBAYHSG-UHFFFAOYSA-N
- Formula
- C11H18Cl2O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCC(Cl)C
l - Molecular Weight1
- 285.16
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | -918.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.703 | Crippen Calculated Property | |
| McVol | 205.210 | ml/mol | McGowan Calculated Property |
| Inp | [1543.00; 1543.00] |
|
|
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Tboil | 548.41 | K | Relay (1.0) Calculated Property |
| Tfus | 299.96 | 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 | [515.61; 584.61] | J/mol×K | [638.91; 833.55] |
|
| Cp,gas | 515.61 | J/mol×K | 638.91 | Joback Calculated Property |
| Cp,gas | 529.20 | J/mol×K | 671.35 | Joback Calculated Property |
| Cp,gas | 541.93 | J/mol×K | 703.79 | Joback Calculated Property |
| Cp,gas | 553.82 | J/mol×K | 736.23 | Joback Calculated Property |
| Cp,gas | 564.88 | J/mol×K | 768.67 | Joback Calculated Property |
| Cp,gas | 575.14 | J/mol×K | 801.11 | Joback Calculated Property |
| Cp,gas | 584.61 | J/mol×K | 833.55 | Joback Calculated Property |
| η | [0.0000943; 0.0036188] | Pa×s | [345.65; 638.91] |
|
| η | 0.0036188 | Pa×s | 345.65 | Joback Calculated Property |
| η | 0.0013521 | Pa×s | 394.53 | Joback Calculated Property |
| η | 0.0006277 | Pa×s | 443.40 | Joback Calculated Property |
| η | 0.0003393 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0002050 | Pa×s | 541.16 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 590.03 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 638.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl ethyl 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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