- InChI
- InChI=1S/C21H36O4/c1-3-16-10-5-7-12-18(16)24-20(22)14-9-15-21(23)25-19-13-8-6-11-17(19)4-2/h16-19H,3-15H2,1-2H3
- InChI Key
- KEIQQKWAURBMFG-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCC1CCCCC1OC(=O)CCCC(=O)OC1CCC
CC1CC - Molecular Weight1
- 352.51
- 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 | -1063.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.74 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.181 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Inp | [2419.00; 2419.00] |
|
|
| Inp | 2419.00 | NIST | |
| Inp | 2419.00 | NIST | |
| Tfus | 277.48 | 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 | [1014.07; 1114.76] | J/mol×K | [826.28; 1034.62] |
|
| Cp,gas | 1014.07 | J/mol×K | 826.28 | Joback Calculated Property |
| Cp,gas | 1035.33 | J/mol×K | 861.00 | Joback Calculated Property |
| Cp,gas | 1054.77 | J/mol×K | 895.73 | Joback Calculated Property |
| Cp,gas | 1072.41 | J/mol×K | 930.45 | Joback Calculated Property |
| Cp,gas | 1088.27 | J/mol×K | 965.17 | Joback Calculated Property |
| Cp,gas | 1102.38 | J/mol×K | 999.89 | Joback Calculated Property |
| Cp,gas | 1114.76 | J/mol×K | 1034.62 | Joback Calculated Property |
| η | [0.0000632; 0.0017921] | Pa×s | [417.37; 826.28] |
|
| η | 0.0017921 | Pa×s | 417.37 | Joback Calculated Property |
| η | 0.0006941 | Pa×s | 485.52 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 553.67 | Joback Calculated Property |
| η | 0.0001943 | Pa×s | 621.83 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 689.98 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 758.13 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 826.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-ethylcyclohexyl) 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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