- 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° | 40.07 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.24; 671.15] | J/mol×K | [728.00; 921.36] |
|
| Cp,gas | 603.24 | J/mol×K | 728.00 | Joback Calculated Property |
| Cp,gas | 616.41 | J/mol×K | 760.23 | Joback Calculated Property |
| Cp,gas | 628.82 | J/mol×K | 792.45 | Joback Calculated Property |
| Cp,gas | 640.48 | J/mol×K | 824.68 | Joback Calculated Property |
| Cp,gas | 651.42 | J/mol×K | 856.90 | Joback Calculated Property |
| Cp,gas | 661.63 | J/mol×K | 889.13 | Joback Calculated Property |
| Cp,gas | 671.15 | J/mol×K | 921.36 | Joback Calculated Property |
| η | [0.0000860; 0.0012076] | Pa×s | [420.35; 728.00] |
|
| η | 0.0012076 | Pa×s | 420.35 | Joback Calculated Property |
| η | 0.0006120 | Pa×s | 471.62 | Joback Calculated Property |
| η | 0.0003544 | Pa×s | 522.90 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 574.17 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 625.45 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 676.73 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 728.00 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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