- InChI
- InChI=1S/C20H36O4/c1-5-8-10-13-17(4)23-19(21)15-12-16-20(22)24-18(7-3)14-11-9-6-2/h7,17-18H,3,5-6,8-16H2,1-2,4H3
- InChI Key
- KGOYHLKUHSQSLT-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCCC(=O)OC(C)
CCCCC - Molecular Weight1
- 340.50
- 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 | -1001.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.60 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.347 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Inp | [2114.00; 2114.00] |
|
|
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Tboil | 610.41 | 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 | [926.82; 1020.10] | J/mol×K | [769.44; 949.28] |
|
| Cp,gas | 926.82 | J/mol×K | 769.44 | Joback Calculated Property |
| Cp,gas | 944.97 | J/mol×K | 799.41 | Joback Calculated Property |
| Cp,gas | 962.05 | J/mol×K | 829.39 | Joback Calculated Property |
| Cp,gas | 978.08 | J/mol×K | 859.36 | Joback Calculated Property |
| Cp,gas | 993.09 | J/mol×K | 889.33 | Joback Calculated Property |
| Cp,gas | 1007.09 | J/mol×K | 919.31 | Joback Calculated Property |
| Cp,gas | 1020.10 | J/mol×K | 949.28 | Joback Calculated Property |
| η | [0.0000380; 0.0026048] | Pa×s | [368.06; 769.44] |
|
| η | 0.0026048 | Pa×s | 368.06 | Joback Calculated Property |
| η | 0.0007487 | Pa×s | 434.96 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 501.85 | Joback Calculated Property |
| η | 0.0001491 | Pa×s | 568.75 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 635.65 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 702.54 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 769.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, oct-1-en-3-yl hept-2-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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