- 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]
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 2.0842 | ChemSep v8.3 pure component data Compiled value | |
| ΔcH°liquid | -34555.70 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -185.71 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -1473.61 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 154.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 242.59 | 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 | 202.70 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | 895.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 934.60 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [256.00; 262.15] | K |
|
| Tfus | 256.00 | K | Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems |
| Tfus | 262.15 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 262.15 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 31.13 | ChemSep v8.3 pure component data Compiled value | |
| URi | 38.48 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 5.470 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.1426860 | ChemSep v8.3 pure component data Compiled value |
Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.16; 3129.75] | J/mol×K | [255.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.28121e+02 | |||
| Coefficient B | -5.00000e+02 | |||
| Coefficient C | 8.19722e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 1039.16 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 1546.57 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 1945.81 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 2249.63 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 2484.14 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 2669.18 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 2818.32 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 2940.83 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 3043.12 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 3129.75 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2269846; 0.0002997] | Pa×s | [262.15; 895.30] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -6.43420e+01 | |||
| Coefficient B | 5.79080e+03 | |||
| Coefficient C | 7.32090e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 262.15 | |||
| Temperature range, max. | 895.30 | |||
| η | 0.2269846 | Pa×s | 262.15 | Calculated Property |
| η | 0.0120797 | Pa×s | 332.50 | Calculated Property |
| η | 0.0023519 | Pa×s | 402.85 | Calculated Property |
| η | 0.0009017 | Pa×s | 473.20 | Calculated Property |
| η | 0.0005103 | Pa×s | 543.55 | Calculated Property |
| η | 0.0003670 | Pa×s | 613.90 | Calculated Property |
| η | 0.0003079 | Pa×s | 684.25 | Calculated Property |
| η | 0.0002863 | Pa×s | 754.60 | Calculated Property |
| η | 0.0002858 | Pa×s | 824.95 | Calculated Property |
| η | 0.0002997 | Pa×s | 895.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.00; 202.80] | kPa | [262.15; 934.60] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.27800e+02 | |||
| Coefficient B | -3.46987e+04 | |||
| Coefficient C | -2.72499e+01 | |||
| Coefficient D | 1.54750e-18 | |||
| Coefficient E | 6.00000e+00 | |||
| Temperature range, min. | 262.15 | |||
| Temperature range, max. | 934.60 | |||
| Pvap | 0.00 | kPa | 262.15 | Calculated Property |
| Pvap | 0.00 | kPa | 336.87 | Calculated Property |
| Pvap | 1.20e-09 | kPa | 411.58 | Calculated Property |
| Pvap | 5.44e-06 | kPa | 486.30 | Calculated Property |
| Pvap | 1.52e-03 | kPa | 561.02 | Calculated Property |
| Pvap | 0.08 | kPa | 635.73 | Calculated Property |
| Pvap | 1.27 | kPa | 710.45 | Calculated Property |
| Pvap | 10.23 | kPa | 785.17 | Calculated Property |
| Pvap | 51.99 | kPa | 859.88 | Calculated Property |
| Pvap | 202.80 | kPa | 934.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [947.24; 160.87] | kg/m3 | [262.15; 934.60] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 2.29387e+01 | |||
| Coefficient B | 1.42590e-01 | |||
| Coefficient C | 9.34600e+02 | |||
| Coefficient D | 2.85710e-01 | |||
| Temperature range, min. | 262.15 | |||
| Temperature range, max. | 934.60 | |||
| ρl | 947.24 | kg/m3 | 262.15 | Calculated Property |
| ρl | 893.26 | kg/m3 | 336.87 | Calculated Property |
| ρl | 837.74 | kg/m3 | 411.58 | Calculated Property |
| ρl | 780.25 | kg/m3 | 486.30 | Calculated Property |
| ρl | 720.15 | kg/m3 | 561.02 | Calculated Property |
| ρl | 656.48 | kg/m3 | 635.73 | Calculated Property |
| ρl | 587.53 | kg/m3 | 710.45 | Calculated Property |
| ρl | 509.91 | kg/m3 | 785.17 | Calculated Property |
| ρl | 414.46 | kg/m3 | 859.88 | Calculated Property |
| ρl | 160.87 | kg/m3 | 934.60 | 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)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- 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.
Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.