- InChI
- InChI=1S/C21H40O4/c1-6-8-9-10-11-12-14-18(5)24-20(22)15-13-16-21(23)25-19(7-2)17(3)4/h17-19H,6-16H2,1-5H3
- InChI Key
- VVUJWJDGFIMYDD-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OC(C
C)C(C)C - Molecular Weight1
- 356.55
- 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).
- IE : Ionization energy (eV).
- 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 | -1132.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Inp | [2221.00; 2221.00] |
|
|
| Inp | 2221.00 | NIST | |
| Inp | 2221.00 | NIST | |
| Tboil | 607.49 | K | Relay (1.0) Calculated Property |
| Tc | 777.29 | K | Relay (1.0) Calculated Property |
| Tfus | 252.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [1031.67; 1127.72] | J/mol×K | [831.14; 1020.11] |
|
| Cp,gas | 1031.67 | J/mol×K | 831.14 | Joback Calculated Property |
| Cp,gas | 1050.51 | J/mol×K | 862.64 | Joback Calculated Property |
| Cp,gas | 1068.19 | J/mol×K | 894.13 | Joback Calculated Property |
| Cp,gas | 1084.74 | J/mol×K | 925.63 | Joback Calculated Property |
| Cp,gas | 1100.16 | J/mol×K | 957.12 | Joback Calculated Property |
| Cp,gas | 1114.48 | J/mol×K | 988.62 | Joback Calculated Property |
| Cp,gas | 1127.72 | J/mol×K | 1020.11 | Joback Calculated Property |
| η | [0.0000355; 0.0012935] | Pa×s | [425.75; 831.14] |
|
| η | 0.0012935 | Pa×s | 425.75 | Joback Calculated Property |
| η | 0.0004714 | Pa×s | 493.31 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 560.88 | Joback Calculated Property |
| η | 0.0001201 | Pa×s | 628.44 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 696.01 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 763.58 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 831.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 2-methylpent-3-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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