- InChI
- InChI=1S/C11H18Cl2O4/c1-3-4-8(2)17-11(15)6-5-10(14)16-7-9(12)13/h8-9H,3-7H2,1-2H3
- InChI Key
- XLBAEKFEKFTWFK-UHFFFAOYSA-N
- Formula
- C11H18Cl2O4
- SMILES
- CCCC(C)OC(=O)CCC(=O)OCC(Cl)Cl
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -945.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 205.210 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Inp | 1682.00 | NIST | |
| Tboil | 550.01 | K | Relay (1.0) Calculated Property |
| Tc | 735.48 | K | Relay (1.0) Calculated Property |
| Tfus | 257.25 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [297.69; 620.67] | 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 | 6.61250e+01 | |||
| Coefficient B | 9.64640e-01 | |||
| Coefficient C | -4.32600e-04 | |||
| Coefficient D | 2.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 405.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 492.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 527.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 604.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 620.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044382; 0.0001520] | Pa×s | [328.23; 581.26] |
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 | -1.31679e+01 | |||
| Coefficient B | 2.54392e+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. | 328.23 | |||
| Temperature range, max. | 581.26 | |||
| η | 0.0044382 | Pa×s | 328.23 | Calculated Property |
| η | 0.0024079 | Pa×s | 356.34 | Calculated Property |
| η | 0.0014286 | Pa×s | 384.46 | Calculated Property |
| η | 0.0009101 | Pa×s | 412.57 | Calculated Property |
| η | 0.0006141 | Pa×s | 440.69 | Calculated Property |
| η | 0.0004344 | Pa×s | 468.80 | Calculated Property |
| η | 0.0003196 | Pa×s | 496.91 | Calculated Property |
| η | 0.0002430 | Pa×s | 525.03 | Calculated Property |
| η | 0.0001899 | Pa×s | 553.14 | Calculated Property |
| η | 0.0001520 | Pa×s | 581.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2-pentyl ester.
Sources
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