- InChI
- InChI=1S/C12H20Cl2O4/c1-3-9(2)6-7-17-11(15)4-5-12(16)18-8-10(13)14/h9-10H,3-8H2,1-2H3
- InChI Key
- LTCGAETWNPBOBW-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
- CCC(C)CCOC(=O)CCC(=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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -966.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.52 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.093 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Pc | 1710.36 | kPa | Joback Calculated Property |
| Inp | [1862.00; 1862.00] |
|
|
| Inp | 1862.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Tboil | 574.09 | K | Relay (1.0) Calculated Property |
| Tc | 757.28 | 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 | [318.90; 672.26] | 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 | 6.52160e+01 | |||
| Coefficient B | 1.05964e+00 | |||
| Coefficient C | -4.87000e-04 | |||
| Coefficient D | 3.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 318.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 436.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 486.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 531.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 570.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 603.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 631.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 654.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 672.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038936; 0.0001373] | Pa×s | [339.50; 596.14] |
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 | -1.33189e+01 | |||
| Coefficient B | 2.63808e+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. | 339.50 | |||
| Temperature range, max. | 596.14 | |||
| η | 0.0038936 | Pa×s | 339.50 | Calculated Property |
| η | 0.0021324 | Pa×s | 368.02 | Calculated Property |
| η | 0.0012735 | Pa×s | 396.53 | Calculated Property |
| η | 0.0008150 | Pa×s | 425.05 | Calculated Property |
| η | 0.0005517 | Pa×s | 453.56 | Calculated Property |
| η | 0.0003911 | Pa×s | 482.08 | Calculated Property |
| η | 0.0002881 | Pa×s | 510.59 | Calculated Property |
| η | 0.0002192 | Pa×s | 539.11 | Calculated Property |
| η | 0.0001714 | Pa×s | 567.62 | Calculated Property |
| η | 0.0001373 | Pa×s | 596.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3-methylpentyl ester.
Sources
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