- InChI
- InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h3-4,11H,2,5-10H2,1H3/b4-3-
- InChI Key
- OLTFUUWZUDOCQS-ARJAWSKDSA-N
- Formula
- C13H20Cl2O4
- SMILES
- CCC=CCCOC(=O)CCCC(=O)OCC(Cl)Cl
- Molecular Weight1
- 311.20
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 | -903.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.10 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.403 | Crippen Calculated Property | |
| McVol | 229.090 | ml/mol | McGowan Calculated Property |
| Inp | [1981.00; 1981.00] |
|
|
| Inp | 1981.00 | NIST | |
| Inp | 1981.00 | NIST | |
| Tboil | 589.45 | K | Relay (1.0) Calculated Property |
| Tfus | 262.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [326.43; 692.73] | 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 | 5.18070e+01 | |||
| Coefficient B | 1.16872e+00 | |||
| Coefficient C | -6.22000e-04 | |||
| Coefficient D | 9.42000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 326.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 391.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 449.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 501.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 547.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 587.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 621.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 649.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 673.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 692.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024146; 0.0001117] | Pa×s | [360.69; 616.67] |
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 | -1.34305e+01 | |||
| Coefficient B | 2.67066e+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. | 360.69 | |||
| Temperature range, max. | 616.67 | |||
| η | 0.0024146 | Pa×s | 360.69 | Calculated Property |
| η | 0.0014054 | Pa×s | 389.13 | Calculated Property |
| η | 0.0008806 | Pa×s | 417.57 | Calculated Property |
| η | 0.0005857 | Pa×s | 446.02 | Calculated Property |
| η | 0.0004091 | Pa×s | 474.46 | Calculated Property |
| η | 0.0002975 | Pa×s | 502.90 | Calculated Property |
| η | 0.0002239 | Pa×s | 531.34 | Calculated Property |
| η | 0.0001734 | Pa×s | 559.78 | Calculated Property |
| η | 0.0001377 | Pa×s | 588.22 | Calculated Property |
| η | 0.0001117 | Pa×s | 616.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl cis-hex-3-enyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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