- InChI
- InChI=1S/C21H31ClO4/c1-2-18-11-9-12-19(17-18)26-21(24)14-10-13-20(23)25-16-8-6-4-3-5-7-15-22/h9,11-12,17H,2-8,10,13-16H2,1H3
- InChI Key
- CZMKKOGSYMIGNY-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCc1cccc(OC(=O)CCCC(=O)OCCCCCC
CCCl)c1 - Molecular Weight1
- 382.92
- 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 | -893.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.65 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.447 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Inp | [2873.00; 2873.00] |
|
|
| Inp | 2873.00 | NIST | |
| Inp | 2873.00 | NIST | |
| Tboil | 656.32 | 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 | [951.48; 1025.60] | J/mol×K | [865.61; 1066.81] |
|
| Cp,gas | 951.48 | J/mol×K | 865.61 | Joback Calculated Property |
| Cp,gas | 966.84 | J/mol×K | 899.14 | Joback Calculated Property |
| Cp,gas | 980.95 | J/mol×K | 932.68 | Joback Calculated Property |
| Cp,gas | 993.85 | J/mol×K | 966.21 | Joback Calculated Property |
| Cp,gas | 1005.58 | J/mol×K | 999.74 | Joback Calculated Property |
| Cp,gas | 1016.15 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 1025.60 | J/mol×K | 1066.81 | Joback Calculated Property |
| η | [0.0000313; 0.0006232] | Pa×s | [479.95; 865.61] |
|
| η | 0.0006232 | Pa×s | 479.95 | Joback Calculated Property |
| η | 0.0002821 | Pa×s | 544.23 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 608.50 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 672.78 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 737.06 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 801.33 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 865.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 3-ethylphenyl 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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