- InChI
- InChI=1S/C13H22Cl2O4/c1-8(2)13(9(3)4)19-12(17)6-5-11(16)18-7-10(14)15/h8-10,13H,5-7H2,1-4H3
- InChI Key
- KBONSUMDTSKWBM-UHFFFAOYSA-N
- Formula
- C13H22Cl2O4
- SMILES
-
CC(C)C(OC(=O)CCC(=O)OCC(Cl)Cl)
C(C)C - Molecular Weight1
- 313.22
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -982.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.337 | Crippen Calculated Property | |
| McVol | 233.390 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 574.33 | K | Relay (1.0) Calculated Property |
| Tc | 756.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [339.49; 724.92] | 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 | 6.09430e+01 | |||
| Coefficient B | 1.16648e+00 | |||
| Coefficient C | -5.47800e-04 | |||
| Coefficient D | 4.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 468.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 522.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 613.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 649.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 680.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 705.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 724.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068293; 0.0001040] | Pa×s | [320.77; 614.60] |
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 | -1.37401e+01 | |||
| Coefficient B | 2.80788e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 320.77 | |||
| Temperature range, max. | 614.60 | |||
| η | 0.0068293 | Pa×s | 320.77 | Calculated Property |
| η | 0.0030423 | Pa×s | 353.42 | Calculated Property |
| η | 0.0015539 | Pa×s | 386.06 | Calculated Property |
| η | 0.0008813 | Pa×s | 418.71 | Calculated Property |
| η | 0.0005426 | Pa×s | 451.36 | Calculated Property |
| η | 0.0003566 | Pa×s | 484.01 | Calculated Property |
| η | 0.0002472 | Pa×s | 516.65 | Calculated Property |
| η | 0.0001790 | Pa×s | 549.30 | Calculated Property |
| η | 0.0001343 | Pa×s | 581.95 | Calculated Property |
| η | 0.0001040 | Pa×s | 614.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2,4-dimethylpent-3-yl ester.
Sources
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