- InChI
- InChI=1S/C57H104O6/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/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
- InChI Key
- PHYFQTYBJUILEZ-IUPFWZBJSA-N
- Formula
- C57H104O6
- SMILES
-
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C
OC(=O)CCCCCCC/C=C\CCCCCCCC)OC( =O)CCCCCCC/C=C\CCCCCCCC - Molecular Weight1
- 885.45
- Other Names
-
- 1,2,3-propanetriyl trioleate
- 1,2,3-tri(cis-9-octadecenoyl)glycerol
- 2,3-Bis[(9Z)-9-octadecenoyloxy]propyl (9Z)-9-octadecenoate
- 9-Octadecenoic acid (9Z)-, 1,1',1''-(1,2,3-propanetriyl) ester
- 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester
- 9-Octadecenoic acid 1,2,3-propanetriyl ester, (Z)-
- 9-octadecenoic acid (Z)-, 1,2,3-propanetriyl ester
- Aldo TO
- Emerest 2423
- Emery 2423
- Emery oleic acid ester 2230
- Glycerin trioleate
- Glycerol triolein
- Kemester 1000
- Oleic triglyceride
- Olein, tri-
- Priolube 1435
- Radia 7363
- Raoline
- Trioleoylglyceride
- glycerol trioleate
- glyceryl trioleate
- glyceryl tris[(Z)-9-octadecenoate]
- glyceryl-1,2,3-trioleate
- oleic acid triglyceride
- oleyl triglyceride
- trioleoylglycerol
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 2.0883 | ChemSep v8.3 pure component data Compiled value | |
| ΔcH°liquid | -35099.60 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -421.65 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -1825.27 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 153.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 250.01 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -13.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 18.097 | Crippen Calculated Property | |
| McVol | 823.410 | ml/mol | McGowan Calculated Property |
| Pc | 200.20 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | 896.80 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 935.30 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [241.15; 279.22] | K |
|
| Tfus | 268.20 | K | Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems |
| Tfus | 279.22 | K | Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols |
| Tfus | 241.15 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 278.15 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 31.77 | ChemSep v8.3 pure component data Compiled value | |
| URi | 39.18 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 5.680 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.1462270 | 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 | [1067.63; 3223.72] | 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 | 5.40582e+02 | |||
| Coefficient B | -5.00000e+02 | |||
| Coefficient C | 8.22807e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 1067.63 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 1590.94 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 2002.69 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 2316.03 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 2557.89 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 2748.72 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 2902.54 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 3028.88 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 3134.38 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 3223.72 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1187776; 0.0000456] | Pa×s | [278.15; 896.80] |
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 | -9.62750e+00 | |||
| Coefficient B | 2.92000e+03 | |||
| Coefficient C | -5.33200e-01 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | ChemSep eq 101, LiquidViscosity | |||
| Temperature range, min. | 278.15 | |||
| Temperature range, max. | 896.80 | |||
| η | 0.1187776 | Pa×s | 278.15 | Calculated Property |
| η | 0.0131872 | Pa×s | 346.89 | Calculated Property |
| η | 0.0029763 | Pa×s | 415.63 | Calculated Property |
| η | 0.0010121 | Pa×s | 484.37 | Calculated Property |
| η | 0.0004458 | Pa×s | 553.11 | Calculated Property |
| η | 0.0002336 | Pa×s | 621.84 | Calculated Property |
| η | 0.0001384 | Pa×s | 690.58 | Calculated Property |
| η | 0.0000898 | Pa×s | 759.32 | Calculated Property |
| η | 0.0000623 | Pa×s | 828.06 | Calculated Property |
| η | 0.0000456 | Pa×s | 896.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.00; 200.29] | kPa | [278.15; 935.30] |
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 | 2.24140e+02 | |||
| Coefficient B | -3.43872e+04 | |||
| Coefficient C | -2.67650e+01 | |||
| Coefficient D | 1.52559e-18 | |||
| Coefficient E | 6.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 278.15 | |||
| Temperature range, max. | 935.30 | |||
| Pvap | 0.00 | kPa | 278.15 | Calculated Property |
| Pvap | 4.85e-14 | kPa | 351.17 | Calculated Property |
| Pvap | 6.51e-09 | kPa | 424.18 | Calculated Property |
| Pvap | 1.39e-05 | kPa | 497.20 | Calculated Property |
| Pvap | 2.57e-03 | kPa | 570.22 | Calculated Property |
| Pvap | 0.10 | kPa | 643.23 | Calculated Property |
| Pvap | 1.47 | kPa | 716.25 | Calculated Property |
| Pvap | 10.90 | kPa | 789.27 | Calculated Property |
| Pvap | 52.87 | kPa | 862.28 | Calculated Property |
| Pvap | 200.29 | kPa | 935.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [920.04; 155.88] | kg/m3 | [278.15; 935.30] |
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 | 2.27946e+01 | |||
| Coefficient B | 1.46230e-01 | |||
| Coefficient C | 9.35300e+02 | |||
| Coefficient D | 2.25770e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 278.15 | |||
| Temperature range, max. | 935.30 | |||
| ρl | 920.04 | kg/m3 | 278.15 | Calculated Property |
| ρl | 878.16 | kg/m3 | 351.17 | Calculated Property |
| ρl | 834.21 | kg/m3 | 424.18 | Calculated Property |
| ρl | 787.70 | kg/m3 | 497.20 | Calculated Property |
| ρl | 737.88 | kg/m3 | 570.22 | Calculated Property |
| ρl | 683.62 | kg/m3 | 643.23 | Calculated Property |
| ρl | 622.93 | kg/m3 | 716.25 | Calculated Property |
| ρl | 551.84 | kg/m3 | 789.27 | Calculated Property |
| ρl | 459.49 | kg/m3 | 862.28 | Calculated Property |
| ρl | 155.88 | kg/m3 | 935.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Triolein.
Mixtures
- Triolein + Methyl Alcohol
- Triolein + Glycerin
- Triolein + Water
- Triolein + Tetradecanoic acid + 1-Hexanol
- Triolein + 1-Butanol + Tetradecanoic acid
- 1-Propanol + Triolein + Tetradecanoic acid
- Triolein + 2-Propanol + Tetradecanoic acid
- Oleic Acid + Triolein + Ethanol
- Triolein + Carbon dioxide + «beta» Carotene
- Hydrogen + Triolein
- Triolein + Dimethyl ether + Methyl Alcohol
- Triolein + n-Hexadecanoic acid
- Triolein + Tripalmitin
- Triolein + Carbon dioxide
- Triolein + Sulfur hexafluoride
- Oleic Acid + Triolein
- Triolein + 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
- Phase equilibria of methanol triolein system at elevated temperature and pressure
- Hydrogen solubility in triolein, and propane solubility in oleic acid for second generation BDF synthesis by use of hydrodeoxygenation reaction
- Phase equilibria of triolein to biodiesel reactor systems
- Solubility of b-carotene in ethanol- and triolein-modified CO2
- Effect of triolein addition of the solubility of capsanthin in supercritical carbon dioxide
- 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
- Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
- Phase Equilibria of Glycerol Tristearate and Glycerol Trioleate in Carbon Dioxide and Sulfur Hexafluoride
- Solubility of .beta.-Carotene and Glyceryl Trioleate Mixture in Supercritical CO2
- Viscosities of Fatty Mixtures: Experimental Data and Prediction
- Phase Equilibrium of Biodiesel Compounds for the Triolein + Palmitic Acid + Methanol System with Dimethyl Ether as Cosolvent
- Joback Method
- McGowan Method
- NIST Webbook
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