- InChI
- InChI=1S/C12H20Cl2O4/c1-4-7-17-10(15)12(5-2,6-3)11(16)18-8-9(13)14/h9H,4-8H2,1-3H3
- InChI Key
- CTXJBPOLAOHOQD-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCC(Cl)
Cl - Molecular Weight1
- 299.19
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -938.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.05 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.093 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Inp | [1627.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Tboil | 559.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [317.76; 673.18] | 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 | 4.24250e+01 | |||
| Coefficient B | 1.17956e+00 | |||
| Coefficient C | -6.55600e-04 | |||
| Coefficient D | 1.06800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 317.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 382.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 439.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 490.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 535.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 573.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 606.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 633.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 655.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 673.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031521; 0.0001273] | Pa×s | [356.92; 598.04] |
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 | -1.37189e+01 | |||
| Coefficient B | 2.84080e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 356.92 | |||
| Temperature range, max. | 598.04 | |||
| η | 0.0031521 | Pa×s | 356.92 | Calculated Property |
| η | 0.0018082 | Pa×s | 383.71 | Calculated Property |
| η | 0.0011153 | Pa×s | 410.50 | Calculated Property |
| η | 0.0007299 | Pa×s | 437.29 | Calculated Property |
| η | 0.0005016 | Pa×s | 464.09 | Calculated Property |
| η | 0.0003592 | Pa×s | 490.88 | Calculated Property |
| η | 0.0002662 | Pa×s | 517.67 | Calculated Property |
| η | 0.0002032 | Pa×s | 544.46 | Calculated Property |
| η | 0.0001591 | Pa×s | 571.25 | Calculated Property |
| η | 0.0001273 | Pa×s | 598.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl propyl 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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