- InChI
- InChI=1S/C12H20Cl2O4/c1-8(12(2,3)4)18-11(16)6-5-10(15)17-7-9(13)14/h8-9H,5-7H2,1-4H3
- InChI Key
- WABCDOCCPLWXER-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
-
CC(OC(=O)CCC(=O)OCC(Cl)Cl)C(C)
(C)C - 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 | -975.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Inp | [1747.00; 1747.00] |
|
|
| Inp | 1747.00 | NIST | |
| Inp | 1747.00 | NIST | |
| Tboil | 555.61 | 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 | [317.44; 673.72] | 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 | 4.07430e+01 | |||
| Coefficient B | 1.18548e+00 | |||
| Coefficient C | -6.58800e-04 | |||
| Coefficient D | 1.06300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 317.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 382.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 440.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 491.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 535.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 574.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 606.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 634.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 673.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043659; 0.0001168] | Pa×s | [341.92; 600.01] |
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 | -1.38529e+01 | |||
| Coefficient B | 2.87862e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 341.92 | |||
| Temperature range, max. | 600.01 | |||
| η | 0.0043659 | Pa×s | 341.92 | Calculated Property |
| η | 0.0022759 | Pa×s | 370.60 | Calculated Property |
| η | 0.0013028 | Pa×s | 399.27 | Calculated Property |
| η | 0.0008036 | Pa×s | 427.95 | Calculated Property |
| η | 0.0005267 | Pa×s | 456.63 | Calculated Property |
| η | 0.0003629 | Pa×s | 485.30 | Calculated Property |
| η | 0.0002607 | Pa×s | 513.98 | Calculated Property |
| η | 0.0001939 | Pa×s | 542.65 | Calculated Property |
| η | 0.0001486 | Pa×s | 571.33 | Calculated Property |
| η | 0.0001168 | Pa×s | 600.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3,3-dimethylbut-2-yl 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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