- InChI
- InChI=1S/C24H42O4/c1-20(2)13-12-14-22(5)17-18-27-23(25)15-10-8-6-7-9-11-16-24(26)28-19-21(3)4/h13,17,21H,6-12,14-16,18-19H2,1-5H3/b22-17+
- InChI Key
- JMWDXLBOPAWUOD-OQKWZONESA-N
- Formula
- C24H42O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCCCCCCC
C(=O)OCC(C)C - Molecular Weight1
- 394.59
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1020.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.07 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.542 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 870.16 | kPa | Joback Calculated Property |
| Inp | 2700.00 | NIST | |
| Tboil | 640.31 | K | Relay (1.0) Calculated Property |
| Tc | 814.19 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [1145.75; 1242.02] | J/mol×K | [872.80; 1069.27] | 
|
| Cp,gas | 1145.75 | J/mol×K | 872.80 | Joback Calculated Property |
| Cp,gas | 1164.65 | J/mol×K | 905.54 | Joback Calculated Property |
| Cp,gas | 1182.34 | J/mol×K | 938.29 | Joback Calculated Property |
| Cp,gas | 1198.87 | J/mol×K | 971.03 | Joback Calculated Property |
| Cp,gas | 1214.29 | J/mol×K | 1003.78 | Joback Calculated Property |
| Cp,gas | 1228.65 | J/mol×K | 1036.52 | Joback Calculated Property |
| Cp,gas | 1242.02 | J/mol×K | 1069.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, geranyl isobutyl ester.
Sources
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