- InChI
- InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
- InChI Key
- HBOQXIRUPVQLKX-BBWANDEASA-N
- Formula
- C57H98O6
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO
C(=O)CCCCCCCC=CCC=CCCCCC)OC(=O )CCCCCCCC=CCC=CCCCCC - Molecular Weight1
- 879.38
- CAS
- 537-40-6
- Other Names
-
- 9,12-Octadecadienoic acid (Z,Z)-, 1,2,3-propanetriyl ester
- propane-1,2,3-triyl tris[(9Z,12Z)-octadeca-9,12-dienoate]
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -34555.70 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -1811.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 149.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 241.69 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -13.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 17.425 | Crippen Calculated Property | |
| McVol | 810.510 | ml/mol | McGowan Calculated Property |
| Pc | 257.48 | kPa | Joback Calculated Property |
| Tboil | 879.17 | K | Relay (1.0) Calculated Property |
| Tc | 1012.98 | K | Relay (1.0) Calculated Property |
| Tfus | 256.00 | K | Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 | [3483.90; 18396.07] | J/mol×K | [1756.95; 3990.34] | 
|
| Cp,gas | 3483.90 | J/mol×K | 1756.95 | Joback Calculated Property |
| Cp,gas | 4037.71 | J/mol×K | 2129.18 | Joback Calculated Property |
| Cp,gas | 5050.78 | J/mol×K | 2501.41 | Joback Calculated Property |
| Cp,gas | 6758.13 | J/mol×K | 2873.64 | Joback Calculated Property |
| Cp,gas | 9394.79 | J/mol×K | 3245.87 | Joback Calculated Property |
| Cp,gas | 13195.76 | J/mol×K | 3618.10 | Joback Calculated Property |
| Cp,gas | 18396.07 | J/mol×K | 3990.34 | Joback Calculated Property |
| η | [3.1728738e-08; 0.0000012] | Pa×s | [903.15; 1756.95] |
|
| η | 0.0000012 | Pa×s | 903.15 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 1045.45 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1187.75 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 1330.05 | Joback Calculated Property |
| η | 6.6147480e-08 | Pa×s | 1472.35 | Joback Calculated Property |
| η | 4.4353058e-08 | Pa×s | 1614.65 | Joback Calculated Property |
| η | 3.1728738e-08 | Pa×s | 1756.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trilinolein.
Mixtures
- n-Hexane + Trilinolein + Octadecanoic acid
- Trilinolein + Octadecanoic acid + 1-Hexanol
- 1-Propanol + Trilinolein + Octadecanoic acid
- Trilinolein + n-Hexadecanoic acid
- Trilinolein + Tripalmitin
- Oleic Acid + Trilinolein
- Trilinolein + 9,12-Octadecadienoic acid (Z,Z)-
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
- Physical properties of systems of interest to the edible oil industry: Viscosities and densities of model systems formed by (triacylglycerol + fatty acid + solvent)
- Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems
- Viscosities of Fatty Mixtures: Experimental Data and Prediction
- 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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