- InChI
- InChI=1S/C20H36O4/c1-5-6-7-9-17(4)23-19(21)10-8-11-20(22)24-18-13-15(2)12-16(3)14-18/h15-18H,5-14H2,1-4H3
- InChI Key
- FNCTWSPYQAQULF-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC1CC(C
)CC(C)C1 - Molecular Weight1
- 340.50
- 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 | -1089.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 296.680 | ml/mol | McGowan Calculated Property |
| Inp | [2205.00; 2205.00] |
|
|
| Inp | 2205.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Tboil | 618.82 | 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 | [955.24; 1056.59] | J/mol×K | [783.41; 974.79] |
|
| Cp,gas | 955.24 | J/mol×K | 783.41 | Joback Calculated Property |
| Cp,gas | 975.59 | J/mol×K | 815.31 | Joback Calculated Property |
| Cp,gas | 994.54 | J/mol×K | 847.20 | Joback Calculated Property |
| Cp,gas | 1012.11 | J/mol×K | 879.10 | Joback Calculated Property |
| Cp,gas | 1028.29 | J/mol×K | 910.99 | Joback Calculated Property |
| Cp,gas | 1043.12 | J/mol×K | 942.89 | Joback Calculated Property |
| Cp,gas | 1056.59 | J/mol×K | 974.79 | Joback Calculated Property |
| η | [0.0000640; 0.0021397] | Pa×s | [383.72; 783.41] |
|
| η | 0.0021397 | Pa×s | 383.72 | Joback Calculated Property |
| η | 0.0007734 | Pa×s | 450.33 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 516.95 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 583.56 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 650.18 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 716.79 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 783.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dimethylcyclohexyl hept-2-yl 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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