- InChI
- InChI=1S/C19H36O4/c1-8-16(14(2)3)23-18(21)11-9-10-17(20)22-13-15(4)12-19(5,6)7/h14-16H,8-13H2,1-7H3
- InChI Key
- ILRWHECZETUXMO-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCC(C)CC(C)(
C)C)C(C)C - Molecular Weight1
- 328.49
- 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.
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1109.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.35 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tc | 756.91 | K | Relay (1.0) Calculated Property |
| Tfus | 252.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point 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 | [895.21; 991.54] | J/mol×K | [746.21; 929.50] |
|
| Cp,gas | 895.21 | J/mol×K | 746.21 | Joback Calculated Property |
| Cp,gas | 913.98 | J/mol×K | 776.76 | Joback Calculated Property |
| Cp,gas | 931.63 | J/mol×K | 807.31 | Joback Calculated Property |
| Cp,gas | 948.18 | J/mol×K | 837.85 | Joback Calculated Property |
| Cp,gas | 963.66 | J/mol×K | 868.40 | Joback Calculated Property |
| Cp,gas | 978.10 | J/mol×K | 898.95 | Joback Calculated Property |
| Cp,gas | 991.54 | J/mol×K | 929.50 | Joback Calculated Property |
| η | [0.0000315; 0.0047293] | Pa×s | [345.97; 746.21] |
|
| η | 0.0047293 | Pa×s | 345.97 | Joback Calculated Property |
| η | 0.0010442 | Pa×s | 412.68 | Joback Calculated Property |
| η | 0.0003511 | Pa×s | 479.38 | Joback Calculated Property |
| η | 0.0001540 | Pa×s | 546.09 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 612.80 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 679.50 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 746.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,4,4-trimethylpentyl 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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