- InChI
- InChI=1S/C20H38O4/c1-6-9-10-13-17(8-3)23-19(21)14-11-15-20(22)24-18(12-7-2)16(4)5/h16-18H,6-15H2,1-5H3
- InChI Key
- IPZYSFPRRRZVAB-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCC(CC)OC(=O)CCCC(=O)OC(CCC
)C(C)C - Molecular Weight1
- 342.51
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 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 | -1103.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.39 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.427 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Inp | [2184.00; 2184.00] |
|
|
| Inp | 2184.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Tboil | 601.57 | K | Relay (1.0) Calculated Property |
| Tc | 770.91 | K | Relay (1.0) Calculated Property |
| Tfus | 228.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [953.46; 1049.88] | J/mol×K | [772.32; 952.56] |
|
| Cp,gas | 953.46 | J/mol×K | 772.32 | Joback Calculated Property |
| Cp,gas | 972.26 | J/mol×K | 802.36 | Joback Calculated Property |
| Cp,gas | 989.94 | J/mol×K | 832.40 | Joback Calculated Property |
| Cp,gas | 1006.52 | J/mol×K | 862.44 | Joback Calculated Property |
| Cp,gas | 1022.03 | J/mol×K | 892.48 | Joback Calculated Property |
| Cp,gas | 1036.48 | J/mol×K | 922.52 | Joback Calculated Property |
| Cp,gas | 1049.88 | J/mol×K | 952.56 | Joback Calculated Property |
| η | [0.0000328; 0.0036146] | Pa×s | [354.82; 772.32] |
|
| η | 0.0036146 | Pa×s | 354.82 | Joback Calculated Property |
| η | 0.0008683 | Pa×s | 424.40 | Joback Calculated Property |
| η | 0.0003117 | Pa×s | 493.99 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 563.57 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 633.15 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 702.74 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 772.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 3-octyl 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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