- InChI
- InChI=1S/C20H28Cl2O5/c1-25-18-15-16(22)11-12-17(18)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
- InChI Key
- ZWKWDSSOOMCJLM-UHFFFAOYSA-N
- Formula
- C20H28Cl2O5
- SMILES
-
COc1cc(Cl)ccc1OC(=O)CCCC(=O)OC
CCCCCCCCl - Molecular Weight1
- 419.34
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -997.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.547 | Crippen Calculated Property | |
| McVol | 314.130 | ml/mol | McGowan Calculated Property |
| Inp | [3083.00; 3083.00] |
|
|
| Inp | 3083.00 | NIST | |
| Inp | 3083.00 | NIST | |
| Tfus | 324.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [945.59; 1004.99] | J/mol×K | [907.56; 1115.86] |
|
| Cp,gas | 945.59 | J/mol×K | 907.56 | Joback Calculated Property |
| Cp,gas | 958.80 | J/mol×K | 942.28 | Joback Calculated Property |
| Cp,gas | 970.67 | J/mol×K | 976.99 | Joback Calculated Property |
| Cp,gas | 981.21 | J/mol×K | 1011.71 | Joback Calculated Property |
| Cp,gas | 990.43 | J/mol×K | 1046.43 | Joback Calculated Property |
| Cp,gas | 998.36 | J/mol×K | 1081.15 | Joback Calculated Property |
| Cp,gas | 1004.99 | J/mol×K | 1115.86 | Joback Calculated Property |
| η | [0.0000231; 0.0003124] | Pa×s | [533.35; 907.56] |
|
| η | 0.0003124 | Pa×s | 533.35 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 595.72 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 658.09 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 720.45 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 782.82 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 845.19 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 907.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl 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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