- InChI
- InChI=1S/C16H26O4/c1-5-9-13(3)19-15(17)11-7-8-12-16(18)20-14(4)10-6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
- InChI Key
- DVDZMSVFHVJCEH-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
-
C=CCC(C)OC(=O)CCCCC(=O)OC(C)CC
=C - Molecular Weight1
- 282.38
- 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 | -853.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.11 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.562 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Inp | [1791.00; 1791.00] |
|
|
| Inp | 1791.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Tboil | 559.08 | 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 | [672.24; 757.45] | J/mol×K | [674.60; 853.84] |
|
| Cp,gas | 672.24 | J/mol×K | 674.60 | Joback Calculated Property |
| Cp,gas | 688.62 | J/mol×K | 704.47 | Joback Calculated Property |
| Cp,gas | 704.11 | J/mol×K | 734.35 | Joback Calculated Property |
| Cp,gas | 718.72 | J/mol×K | 764.22 | Joback Calculated Property |
| Cp,gas | 732.47 | J/mol×K | 794.10 | Joback Calculated Property |
| Cp,gas | 745.38 | J/mol×K | 823.97 | Joback Calculated Property |
| Cp,gas | 757.45 | J/mol×K | 853.84 | Joback Calculated Property |
| η | [0.0000717; 0.0045260] | Pa×s | [321.22; 674.60] |
|
| η | 0.0045260 | Pa×s | 321.22 | Joback Calculated Property |
| η | 0.0013282 | Pa×s | 380.12 | Joback Calculated Property |
| η | 0.0005416 | Pa×s | 439.01 | Joback Calculated Property |
| η | 0.0002730 | Pa×s | 497.91 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 556.81 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 615.70 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 674.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(pent-4-en-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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