- InChI
- InChI=1S/C14H26O4/c1-6-12(10(2)3)18-14(16)9-7-8-13(15)17-11(4)5/h10-12H,6-9H2,1-5H3
- InChI Key
- IRUFZMHUAVOOCF-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCC(OC(=O)CCCC(=O)OC(C)C)C(C)C
- Molecular Weight1
- 258.36
- 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 | -996.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.086 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Inp | [1556.00; 1556.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Tboil | 530.08 | 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 | [609.71; 698.40] | J/mol×K | [635.04; 813.81] |
|
| Cp,gas | 609.71 | J/mol×K | 635.04 | Joback Calculated Property |
| Cp,gas | 626.60 | J/mol×K | 664.84 | Joback Calculated Property |
| Cp,gas | 642.63 | J/mol×K | 694.63 | Joback Calculated Property |
| Cp,gas | 657.83 | J/mol×K | 724.43 | Joback Calculated Property |
| Cp,gas | 672.18 | J/mol×K | 754.22 | Joback Calculated Property |
| Cp,gas | 685.70 | J/mol×K | 784.02 | Joback Calculated Property |
| Cp,gas | 698.40 | J/mol×K | 813.81 | Joback Calculated Property |
| η | [0.0000796; 0.0097569] | Pa×s | [287.20; 635.04] |
|
| η | 0.0097569 | Pa×s | 287.20 | Joback Calculated Property |
| η | 0.0022330 | Pa×s | 345.17 | Joback Calculated Property |
| η | 0.0007810 | Pa×s | 403.15 | Joback Calculated Property |
| η | 0.0003558 | Pa×s | 461.12 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 519.09 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 577.07 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 635.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl isopropyl 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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