- InChI
- InChI=1S/C11H18Cl2O4/c1-7(2)8(3)17-11(15)5-4-10(14)16-6-9(12)13/h7-9H,4-6H2,1-3H3
- InChI Key
- APFQDRAVAMFWPT-UHFFFAOYSA-N
- Formula
- C11H18Cl2O4
- SMILES
-
CC(C)C(C)OC(=O)CCC(=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).
- 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 | -947.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 205.210 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | [1693.00; 1693.00] |
|
|
| Inp | 1693.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Tboil | 550.17 | K | Relay (1.0) Calculated Property |
| Tc | 737.04 | 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 | [297.37; 621.20] | 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 | 6.44430e+01 | |||
| Coefficient B | 9.70560e-01 | |||
| Coefficient C | -4.35800e-04 | |||
| Coefficient D | 2.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 405.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 492.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 528.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 559.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 605.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 621.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063480; 0.0001398] | Pa×s | [313.23; 583.21] |
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 | -1.33019e+01 | |||
| Coefficient B | 2.58174e+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. | 313.23 | |||
| Temperature range, max. | 583.21 | |||
| η | 0.0063480 | Pa×s | 313.23 | Calculated Property |
| η | 0.0030888 | Pa×s | 343.23 | Calculated Property |
| η | 0.0016874 | Pa×s | 373.23 | Calculated Property |
| η | 0.0010086 | Pa×s | 403.22 | Calculated Property |
| η | 0.0006474 | Pa×s | 433.22 | Calculated Property |
| η | 0.0004401 | Pa×s | 463.22 | Calculated Property |
| η | 0.0003136 | Pa×s | 493.22 | Calculated Property |
| η | 0.0002323 | Pa×s | 523.21 | Calculated Property |
| η | 0.0001778 | Pa×s | 553.21 | Calculated Property |
| η | 0.0001398 | Pa×s | 583.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 3-methylbut-2-yl ester.
Sources
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