Chemical Properties of GLYCEROL TRICAPRYLATE

InChI

InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

InChI Key

VLPFTAMPNXLGLX-UHFFFAOYSA-N

Formula

C27H50O6

SMILES

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

Molecular Weight¹

470.69

Other Names

• 1,2,3-propanetriol trioctanoate
• Caprylic acid triglyceride
• Caprylic triglyceride
• Caprylin
• Captex 8000
• Emalex KTG
• Glycerin tricaprylate
• Glycerol trioctanoate
• Maceight
• Miglyol 808
• NSC 4059
• Octanoic acid triglyceride
• Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• Octanoic acid, 1,2,3-propanetriyl ester
• Octanoin, tri-
• Panacete 800
• RATO
• Sefsol 810
• Tricaprylic Glyceride
• Tricapryloylglycerol
• Tricaprylyl glycerin
• Trioctanoylglycerol
• glyceryl tricaprylate
• glyceryl trioctanoate
• tricaprilin
• tricaprylin
• trioctanoin

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-15259.00 ± 1.80	kJ/mol	NIST
ΔfH°gas	-1516.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.27	kJ/mol	Joback Calculated Property
ΔvapH°	135.40 ± 4.70	kJ/mol	NIST
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	7.066		Crippen Calculated Property
McVol	413.610	ml/mol	McGowan Calculated Property
Pc	697.28	kPa	Joback Calculated Property
Inp	2958.00		NIST
Tboil	670.51	K	Relay (1.0) Calculated Property
Tc	836.00	K	Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
Tfus	291.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1432.92; 1513.12]	J/mol×K	[991.58; 1228.57]
Cp,gas	1432.92	J/mol×K	991.58	Joback Calculated Property
Cp,gas	1451.86	J/mol×K	1031.08	Joback Calculated Property
Cp,gas	1468.50	J/mol×K	1070.58	Joback Calculated Property
Cp,gas	1482.90	J/mol×K	1110.07	Joback Calculated Property
Cp,gas	1495.10	J/mol×K	1149.57	Joback Calculated Property
Cp,gas	1505.16	J/mol×K	1189.07	Joback Calculated Property
Cp,gas	1513.12	J/mol×K	1228.57	Joback Calculated Property
Cp,liquid	920.00	J/mol×K	338.00	NIST
η	[0.0000075; 0.0003808]	Pa×s	[506.04; 991.58]
η	0.0003808	Pa×s	506.04	Joback Calculated Property
η	0.0001260	Pa×s	586.96	Joback Calculated Property
η	0.0000545	Pa×s	667.89	Joback Calculated Property
η	0.0000283	Pa×s	748.81	Joback Calculated Property
η	0.0000167	Pa×s	829.73	Joback Calculated Property
η	0.0000108	Pa×s	910.66	Joback Calculated Property
η	0.0000075	Pa×s	991.58	Joback Calculated Property
ΔvapH	[116.00; 118.70]	kJ/mol	[386.00; 424.50]
ΔvapH	118.70	kJ/mol	386.00	NIST
ΔvapH	116.00	kJ/mol	424.50	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	102.00	952.7
298.15	102.00	948.9
303.15	102.00	944.9
313.15	102.00	937.4
333.15	102.00	922.5
353.15	102.00	907.7
298.15	120.00	949.9
298.15	9830.00	955.5
298.15	20100.00	961.3
298.15	30020.00	966.6
298.15	40050.00	971.9
298.15	50040.00	977.1
Reference

Similar Compounds

Find more compounds similar to GLYCEROL TRICAPRYLATE.

Mixtures

• n-Hexane + n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE
• n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE + 1-Hexanol
• n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE + 1-Pentanol
• 1-Butanol + n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE
• 1-Propanol + n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE
• 2-Propanol + n-Hexadecanoic acid + GLYCEROL TRICAPRYLATE
• 9,12-Octadecadienoic acid (Z,Z)- + Ethanol + GLYCEROL TRICAPRYLATE
• n-Decanoic acid + GLYCEROL TRICAPRYLATE

Sources

• Cheméo Relay (1.0)
• 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)
• Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
• Thermodynamic Modeling of Triglycerides using PC-SAFT
• 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.
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