- InChI
- InChI=1S/C12H20Cl2O4/c1-8(2)9(3)18-12(16)6-4-5-11(15)17-7-10(13)14/h8-10H,4-7H2,1-3H3
- InChI Key
- PELKZLOXQRMYOE-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCC(Cl)
Cl - Molecular Weight1
- 299.19
- 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).
- 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 | -974.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Inp | [1766.00; 1766.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Tboil | 565.49 | K | Relay (1.0) Calculated Property |
| Tc | 749.37 | K | Relay (1.0) Calculated Property |
| Tfus | 282.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [564.93; 637.18] | J/mol×K | [664.14; 854.17] |
|
| Cp,gas | 564.93 | J/mol×K | 664.14 | Joback Calculated Property |
| Cp,gas | 579.05 | J/mol×K | 695.81 | Joback Calculated Property |
| Cp,gas | 592.33 | J/mol×K | 727.48 | Joback Calculated Property |
| Cp,gas | 604.78 | J/mol×K | 759.16 | Joback Calculated Property |
| Cp,gas | 616.40 | J/mol×K | 790.83 | Joback Calculated Property |
| Cp,gas | 627.20 | J/mol×K | 822.50 | Joback Calculated Property |
| Cp,gas | 637.18 | J/mol×K | 854.17 | Joback Calculated Property |
| η | [0.0000808; 0.0054798] | Pa×s | [324.50; 664.14] |
|
| η | 0.0054798 | Pa×s | 324.50 | Joback Calculated Property |
| η | 0.0016100 | Pa×s | 381.11 | Joback Calculated Property |
| η | 0.0006493 | Pa×s | 437.71 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 494.32 | Joback Calculated Property |
| η | 0.0001849 | Pa×s | 550.93 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 607.53 | Joback Calculated Property |
| η | 0.0000808 | Pa×s | 664.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,2-dichloroethyl 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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