- InChI
- InChI=1S/C11H17Cl3O4/c1-4-10(5-2,8(15)17-6-3)9(16)18-7-11(12,13)14/h4-7H2,1-3H3
- InChI Key
- ICDBZPXXABQWIL-UHFFFAOYSA-N
- Formula
- C11H17Cl3O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCC(Cl)(
Cl)Cl - Molecular Weight1
- 319.61
- 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 | -919.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.269 | Crippen Calculated Property | |
| McVol | 217.450 | ml/mol | McGowan Calculated Property |
| Inp | 1602.00 | NIST | |
| Tboil | 554.51 | K | Relay (1.0) Calculated Property |
| Tfus | 329.10 | 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 | [544.66; 607.17] | J/mol×K | [673.55; 878.33] | 
|
| Cp,gas | 544.66 | J/mol×K | 673.55 | Joback Calculated Property |
| Cp,gas | 557.36 | J/mol×K | 707.68 | Joback Calculated Property |
| Cp,gas | 569.09 | J/mol×K | 741.81 | Joback Calculated Property |
| Cp,gas | 579.90 | J/mol×K | 775.94 | Joback Calculated Property |
| Cp,gas | 589.82 | J/mol×K | 810.07 | Joback Calculated Property |
| Cp,gas | 598.89 | J/mol×K | 844.20 | Joback Calculated Property |
| Cp,gas | 607.17 | J/mol×K | 878.33 | Joback Calculated Property |
| η | [0.0000738; 0.0020152] | Pa×s | [392.99; 673.55] |
|
| η | 0.0020152 | Pa×s | 392.99 | Joback Calculated Property |
| η | 0.0008662 | Pa×s | 439.75 | Joback Calculated Property |
| η | 0.0004379 | Pa×s | 486.51 | Joback Calculated Property |
| η | 0.0002495 | Pa×s | 533.27 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 580.03 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 626.79 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 673.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 2,2,2-trichloroethyl 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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