- InChI
- InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h4-5,10H,2-3,6-9H2,1H3/b5-4-
- InChI Key
- ORLYGSSKIUQJBX-PLNGDYQASA-N
- Formula
- C12H18Cl2O4
- SMILES
-
CCC/C=C\COC(=O)CCC(=O)OCC(Cl)C
l - Molecular Weight1
- 297.18
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -852.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.013 | Crippen Calculated Property | |
| McVol | 215.000 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Inp | [1900.00; 1900.00] |
|
|
| Inp | 1900.00 | NIST | |
| Inp | 1900.00 | NIST | |
| Tboil | 568.60 | K | Relay (1.0) Calculated Property |
| Tc | 755.16 | K | Relay (1.0) Calculated Property |
| Tfus | 243.32 | 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 | [305.21; 641.14] | 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 | 5.27160e+01 | |||
| Coefficient B | 1.07372e+00 | |||
| Coefficient C | -5.67600e-04 | |||
| Coefficient D | 8.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 305.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 365.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 418.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 466.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 508.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 544.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 576.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 602.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 624.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 641.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027285; 0.0001240] | Pa×s | [349.42; 601.67] |
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 | -1.32777e+01 | |||
| Coefficient B | 2.57650e+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. | 349.42 | |||
| Temperature range, max. | 601.67 | |||
| η | 0.0027285 | Pa×s | 349.42 | Calculated Property |
| η | 0.0015781 | Pa×s | 377.45 | Calculated Property |
| η | 0.0009845 | Pa×s | 405.47 | Calculated Property |
| η | 0.0006528 | Pa×s | 433.50 | Calculated Property |
| η | 0.0004550 | Pa×s | 461.53 | Calculated Property |
| η | 0.0003306 | Pa×s | 489.56 | Calculated Property |
| η | 0.0002486 | Pa×s | 517.58 | Calculated Property |
| η | 0.0001925 | Pa×s | 545.61 | Calculated Property |
| η | 0.0001528 | Pa×s | 573.64 | Calculated Property |
| η | 0.0001240 | Pa×s | 601.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl cis-hex-2-en-1-yl ester.
Sources
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