- InChI
- InChI=1S/C22H42O4/c1-6-8-9-10-11-12-15-19(5)25-21(23)16-13-17-22(24)26-20(14-7-2)18(3)4/h18-20H,6-17H2,1-5H3
- InChI Key
- BBGPIHQCTCXYEE-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OC(C
CC)C(C)C - Molecular Weight1
- 370.57
- 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 | -1144.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.207 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 612.41 | K | Relay (1.0) Calculated Property |
| Tc | 789.30 | K | Relay (1.0) Calculated Property |
| Tfus | 248.55 | 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 | [1075.48; 1173.63] | J/mol×K | [818.08; 1003.51] |
|
| Cp,gas | 1075.48 | J/mol×K | 818.08 | Joback Calculated Property |
| Cp,gas | 1094.86 | J/mol×K | 848.98 | Joback Calculated Property |
| Cp,gas | 1113.00 | J/mol×K | 879.89 | Joback Calculated Property |
| Cp,gas | 1129.92 | J/mol×K | 910.79 | Joback Calculated Property |
| Cp,gas | 1145.65 | J/mol×K | 941.70 | Joback Calculated Property |
| Cp,gas | 1160.21 | J/mol×K | 972.60 | Joback Calculated Property |
| Cp,gas | 1173.63 | J/mol×K | 1003.51 | Joback Calculated Property |
| η | [0.0000240; 0.0025732] | Pa×s | [377.36; 818.08] |
|
| η | 0.0025732 | Pa×s | 377.36 | Joback Calculated Property |
| η | 0.0006257 | Pa×s | 450.81 | Joback Calculated Property |
| η | 0.0002261 | Pa×s | 524.27 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 597.72 | Joback Calculated Property |
| η | 0.0000576 | Pa×s | 671.17 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 744.63 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 818.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 2-methylhex-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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