- InChI
- InChI=1S/C17H20Cl4O4/c1-10(2)5-4-8-24-13(22)6-3-7-14(23)25-17-15(20)11(18)9-12(19)16(17)21/h9-10H,3-8H2,1-2H3
- InChI Key
- NUJUXSBEAAGYLG-UHFFFAOYSA-N
- Formula
- C17H20Cl4O4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1c(Cl)
c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 430.15
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -861.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.20 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.355 | Crippen Calculated Property | |
| McVol | 290.470 | ml/mol | McGowan Calculated Property |
| Inp | 2799.00 | NIST | |
| Tboil | 645.06 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [789.21; 835.54] | J/mol×K | [900.88; 1118.49] | 
|
| Cp,gas | 789.21 | J/mol×K | 900.88 | Joback Calculated Property |
| Cp,gas | 799.87 | J/mol×K | 937.15 | Joback Calculated Property |
| Cp,gas | 809.33 | J/mol×K | 973.42 | Joback Calculated Property |
| Cp,gas | 817.63 | J/mol×K | 1009.69 | Joback Calculated Property |
| Cp,gas | 824.75 | J/mol×K | 1045.95 | Joback Calculated Property |
| Cp,gas | 830.72 | J/mol×K | 1082.22 | Joback Calculated Property |
| Cp,gas | 835.54 | J/mol×K | 1118.49 | Joback Calculated Property |
| η | [0.0000332; 0.0003395] | Pa×s | [547.19; 900.88] |
|
| η | 0.0003395 | Pa×s | 547.19 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 606.14 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 665.09 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 724.03 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 782.98 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 841.93 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 900.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 2,3,5,6-tetrachlorophenyl 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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