- InChI
- InChI=1S/C20H29ClO4/c1-17-11-6-7-12-18(17)25-20(23)14-10-13-19(22)24-16-9-5-3-2-4-8-15-21/h6-7,11-12H,2-5,8-10,13-16H2,1H3
- InChI Key
- YWTSCUGHWDFDOJ-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
Cc1ccccc1OC(=O)CCCC(=O)OCCCCCC
CCCl - Molecular Weight1
- 368.89
- 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).
- IE : Ionization energy (eV).
- 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 | -866.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Inp | [2790.00; 2790.00] |
|
|
| Inp | 2790.00 | NIST | |
| Inp | 2790.00 | NIST | |
| Tboil | 649.52 | 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, 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 | [892.63; 966.41] | J/mol×K | [842.73; 1042.64] |
|
| Cp,gas | 892.63 | J/mol×K | 842.73 | Joback Calculated Property |
| Cp,gas | 907.83 | J/mol×K | 876.05 | Joback Calculated Property |
| Cp,gas | 921.82 | J/mol×K | 909.37 | Joback Calculated Property |
| Cp,gas | 934.65 | J/mol×K | 942.68 | Joback Calculated Property |
| Cp,gas | 946.34 | J/mol×K | 976.00 | Joback Calculated Property |
| Cp,gas | 956.92 | J/mol×K | 1009.32 | Joback Calculated Property |
| Cp,gas | 966.41 | J/mol×K | 1042.64 | Joback Calculated Property |
| η | [0.0000365; 0.0007042] | Pa×s | [468.68; 842.73] |
|
| η | 0.0007042 | Pa×s | 468.68 | Joback Calculated Property |
| η | 0.0003218 | Pa×s | 531.02 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 593.36 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 655.70 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 718.05 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 780.39 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 842.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 2-methylphenyl 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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