- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.54; 621.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.33340e+01 | |||
| Coefficient B | 1.08456e+00 | |||
| Coefficient C | -6.01200e-04 | |||
| Coefficient D | 9.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 296.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 355.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 408.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 455.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 496.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 531.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 561.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 585.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 621.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036188; 0.0001419] | Pa×s | [345.65; 583.48] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35679e+01 | |||
| Coefficient B | 2.74664e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 345.65 | |||
| Temperature range, max. | 583.48 | |||
| η | 0.0036188 | Pa×s | 345.65 | Calculated Property |
| η | 0.0020581 | Pa×s | 372.08 | Calculated Property |
| η | 0.0012614 | Pa×s | 398.50 | Calculated Property |
| η | 0.0008217 | Pa×s | 424.93 | Calculated Property |
| η | 0.0005628 | Pa×s | 451.35 | Calculated Property |
| η | 0.0004020 | Pa×s | 477.78 | Calculated Property |
| η | 0.0002974 | Pa×s | 504.21 | Calculated Property |
| η | 0.0002267 | Pa×s | 530.63 | Calculated Property |
| η | 0.0001774 | Pa×s | 557.06 | Calculated Property |
| η | 0.0001419 | Pa×s | 583.48 | 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
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