- InChI
- InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+
- InChI Key
- JPSMSFPZQBRHIJ-AATRIKPKSA-N
- Formula
- C16H28O4
- SMILES
- CCC=CCCOC(=O)CCC(=O)OCCCC(C)C
- Molecular Weight1
- 284.39
- 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).
- 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 | -934.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.33 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | 1899.00 | NIST | |
| Tboil | 578.07 | K | Relay (1.0) Calculated Property |
| Tc | 742.92 | K | Relay (1.0) Calculated Property |
| Tfus | 231.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [696.97; 783.93] | J/mol×K | [685.84; 863.64] | 
|
| Cp,gas | 696.97 | J/mol×K | 685.84 | Joback Calculated Property |
| Cp,gas | 713.62 | J/mol×K | 715.47 | Joback Calculated Property |
| Cp,gas | 729.38 | J/mol×K | 745.11 | Joback Calculated Property |
| Cp,gas | 744.28 | J/mol×K | 774.74 | Joback Calculated Property |
| Cp,gas | 758.32 | J/mol×K | 804.37 | Joback Calculated Property |
| Cp,gas | 771.54 | J/mol×K | 834.01 | Joback Calculated Property |
| Cp,gas | 783.93 | J/mol×K | 863.64 | Joback Calculated Property |
| η | [0.0000599; 0.0032497] | Pa×s | [334.66; 685.84] |
|
| η | 0.0032497 | Pa×s | 334.66 | Joback Calculated Property |
| η | 0.0010176 | Pa×s | 393.19 | Joback Calculated Property |
| η | 0.0004305 | Pa×s | 451.72 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 510.25 | Joback Calculated Property |
| η | 0.0001310 | Pa×s | 568.78 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 627.31 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 685.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isohexyl trans-hex-3-enyl 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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