- InChI
- InChI=1S/C21H36O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h14-19H,5-13H2,1-4H3
- InChI Key
- SSMLRCVHYKFROE-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CC1CC(C)CC(OC(=O)CCCC(=O)OC2CC
(C)CC(C)C2)C1 - 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 | -1131.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.893 | Crippen Calculated Property | |
| McVol | 299.910 | ml/mol | McGowan Calculated Property |
| Inp | [2378.00; 2378.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Tfus | 296.72 | 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 | [1019.84; 1124.69] | J/mol×K | [816.94; 1024.75] |
|
| Cp,gas | 1019.84 | J/mol×K | 816.94 | Joback Calculated Property |
| Cp,gas | 1042.04 | J/mol×K | 851.58 | Joback Calculated Property |
| Cp,gas | 1062.33 | J/mol×K | 886.21 | Joback Calculated Property |
| Cp,gas | 1080.73 | J/mol×K | 920.85 | Joback Calculated Property |
| Cp,gas | 1097.26 | J/mol×K | 955.48 | Joback Calculated Property |
| Cp,gas | 1111.91 | J/mol×K | 990.12 | Joback Calculated Property |
| Cp,gas | 1124.69 | J/mol×K | 1024.75 | Joback Calculated Property |
| η | [0.0001033; 0.0017683] | Pa×s | [408.89; 816.94] |
|
| η | 0.0017683 | Pa×s | 408.89 | Joback Calculated Property |
| η | 0.0007860 | Pa×s | 476.90 | Joback Calculated Property |
| η | 0.0004277 | Pa×s | 544.91 | Joback Calculated Property |
| η | 0.0002664 | Pa×s | 612.91 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 680.92 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 748.93 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 816.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3,5-dimethylcyclohexyl) 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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