- InChI
- InChI=1S/C17H30O4/c1-6-8-9-10-15(7-2)21-17(19)12-11-16(18)20-14(5)13(3)4/h7,13-15H,2,6,8-12H2,1,3-5H3
- InChI Key
- MUCONRDDMKUQDA-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(C)C
(C)C - Molecular Weight1
- 298.42
- 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 | -937.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.13 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.032 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Inp | [1873.00; 1873.00] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 571.69 | 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 | [752.44; 843.00] | J/mol×K | [700.36; 879.49] |
|
| Cp,gas | 752.44 | J/mol×K | 700.36 | Joback Calculated Property |
| Cp,gas | 769.90 | J/mol×K | 730.21 | Joback Calculated Property |
| Cp,gas | 786.39 | J/mol×K | 760.07 | Joback Calculated Property |
| Cp,gas | 801.93 | J/mol×K | 789.92 | Joback Calculated Property |
| Cp,gas | 816.53 | J/mol×K | 819.78 | Joback Calculated Property |
| Cp,gas | 830.22 | J/mol×K | 849.63 | Joback Calculated Property |
| Cp,gas | 843.00 | J/mol×K | 879.49 | Joback Calculated Property |
| η | [0.0000546; 0.0058208] | Pa×s | [319.25; 700.36] |
|
| η | 0.0058208 | Pa×s | 319.25 | Joback Calculated Property |
| η | 0.0014018 | Pa×s | 382.77 | Joback Calculated Property |
| η | 0.0005063 | Pa×s | 446.29 | Joback Calculated Property |
| η | 0.0002357 | Pa×s | 509.81 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 573.32 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 636.84 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 700.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl oct-1-en-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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