- InChI
- InChI=1S/C17H30O4/c1-3-14(2)12-20-16(18)10-7-11-17(19)21-13-15-8-5-4-6-9-15/h14-15H,3-13H2,1-2H3
- InChI Key
- APBNWAGXYQNKOG-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
CCC(C)COC(=O)CCCC(=O)OCC1CCCCC
1 - Molecular Weight1
- 298.42
- 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 | -999.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.22 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 254.410 | ml/mol | McGowan Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 628.02 | 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 | [771.79; 869.48] | J/mol×K | [724.11; 917.50] |
|
| Cp,gas | 771.79 | J/mol×K | 724.11 | Joback Calculated Property |
| Cp,gas | 791.13 | J/mol×K | 756.34 | Joback Calculated Property |
| Cp,gas | 809.23 | J/mol×K | 788.57 | Joback Calculated Property |
| Cp,gas | 826.10 | J/mol×K | 820.81 | Joback Calculated Property |
| Cp,gas | 841.75 | J/mol×K | 853.04 | Joback Calculated Property |
| Cp,gas | 856.20 | J/mol×K | 885.27 | Joback Calculated Property |
| Cp,gas | 869.48 | J/mol×K | 917.50 | Joback Calculated Property |
| η | [0.0000625; 0.0034834] | Pa×s | [358.39; 724.11] |
|
| η | 0.0034834 | Pa×s | 358.39 | Joback Calculated Property |
| η | 0.0010953 | Pa×s | 419.34 | Joback Calculated Property |
| η | 0.0004619 | Pa×s | 480.30 | Joback Calculated Property |
| η | 0.0002366 | Pa×s | 541.25 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 602.20 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 663.16 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 724.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-methylbutyl 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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