Chemical Properties of Glycerol tricaprylate (CAS 538-23-8)

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

470.68

CAS

538-23-8

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

• ω : Acentric Factor.
• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.3013		Relay (1.0) Calculated Property
ΔcH°solid	-15259.00 ± 1.80	kJ/mol	NIST
ΔfG°	-527.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1516.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.52	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	744.88	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	294.95	K	Relay (1.0) Calculated Property
Vc	1.587	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1458.42; 1536.66]	J/mol×K	[1045.59; 1302.53]
Cp,gas	1458.42	J/mol×K	1045.59	Joback Calculated Property
Cp,gas	1477.45	J/mol×K	1088.41	Joback Calculated Property
Cp,gas	1494.01	J/mol×K	1131.24	Joback Calculated Property
Cp,gas	1508.15	J/mol×K	1174.06	Joback Calculated Property
Cp,gas	1519.94	J/mol×K	1216.88	Joback Calculated Property
Cp,gas	1529.42	J/mol×K	1259.70	Joback Calculated Property
Cp,gas	1536.66	J/mol×K	1302.53	Joback Calculated Property
Cp,liquid	920.00	J/mol×K	338.00	NIST
η	[0.0000114; 0.0002041]	Pa×s	[595.53; 1045.59]
η	0.0002041	Pa×s	595.53	Joback Calculated Property
η	0.0000964	Pa×s	670.54	Joback Calculated Property
η	0.0000529	Pa×s	745.55	Joback Calculated Property
η	0.0000324	Pa×s	820.56	Joback Calculated Property
η	0.0000216	Pa×s	895.57	Joback Calculated Property
η	0.0000153	Pa×s	970.58	Joback Calculated Property
η	0.0000114	Pa×s	1045.59	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
• Isopropyl Alcohol + 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.