- InChI
- InChI=1S/C18H32O4/c1-6-9-10-11-15(7-2)21-17(19)12-13-18(20)22-16(8-3)14(4)5/h7,14-16H,2,6,8-13H2,1,3-5H3
- InChI Key
- XCEAABHQAFXQIU-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(CC)
C(C)C - Molecular Weight1
- 312.45
- 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 | -959.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.423 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Inp | [1942.00; 1942.00] |
|
|
| Inp | 1942.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Tboil | 589.66 | 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 | [809.75; 901.51] | J/mol×K | [723.24; 902.49] |
|
| Cp,gas | 809.75 | J/mol×K | 723.24 | Joback Calculated Property |
| Cp,gas | 827.50 | J/mol×K | 753.12 | Joback Calculated Property |
| Cp,gas | 844.24 | J/mol×K | 782.99 | Joback Calculated Property |
| Cp,gas | 859.99 | J/mol×K | 812.87 | Joback Calculated Property |
| Cp,gas | 874.78 | J/mol×K | 842.74 | Joback Calculated Property |
| Cp,gas | 888.61 | J/mol×K | 872.62 | Joback Calculated Property |
| Cp,gas | 901.51 | J/mol×K | 902.49 | Joback Calculated Property |
| η | [0.0000472; 0.0049566] | Pa×s | [330.52; 723.24] |
|
| η | 0.0049566 | Pa×s | 330.52 | Joback Calculated Property |
| η | 0.0012019 | Pa×s | 395.97 | Joback Calculated Property |
| η | 0.0004356 | Pa×s | 461.43 | Joback Calculated Property |
| η | 0.0002032 | Pa×s | 526.88 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 592.33 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 657.79 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 723.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-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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