Chemical Properties of Dodecanoic acid, 1,2,3-propanetriyl ester (CAS 538-24-9)

InChI

InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3

InChI Key

VMPHSYLJUKZBJJ-UHFFFAOYSA-N

Formula

C39H74O6

SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Molecular Weight¹

639.00

CAS

538-24-9

Other Names

• 1,2,3-propanetriyl tridodecanoate
• Dodecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• Dodecanoic acid, tri-ester with glycerol
• Dynasan 112
• Glycerin trilaurate
• Glycerol trilaurate
• Glyceryl tridodecanoate
• Glyceryl trilaurate
• Lauric acid triglyceride
• Lauric acid triglycerin ester
• Laurin, tri-
• NSC 4061
• Tridodecanoyl glycerol
• Trilaurin
• Trilauroylglycerol

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-23860.00; -23731.60]	kJ/mol
ΔcH°solid	-23731.60 ± 1.80	kJ/mol	NIST
ΔcH°solid	-23860.00	kJ/mol	NIST
ΔfG°	-426.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1587.97	kJ/mol	Joback Calculated Property
ΔfusH°	101.60	kJ/mol	Joback Calculated Property
ΔvapH°	180.00 ± 6.30	kJ/mol	NIST
log10WS	-12.85		Crippen Calculated Property
logPoct/wat	11.747		Crippen Calculated Property
McVol	582.690	ml/mol	McGowan Calculated Property
Pc	431.15	kPa	Joback Calculated Property
S°liquid	1071.50	J/mol×K	NIST
Tboil	1320.15	K	Joback Calculated Property
Tc	899.00	K	Critica...
Tfus	[319.50; 321.90]	K
Tfus	321.90	K	Solid L...
Tfus	319.50 ± 0.20	K	NIST
Ttriple	[287.40; 319.60]	K
Ttriple	319.60 ± 1.00	K	NIST
Ttriple	287.40 ± 1.00	K	NIST
Ttriple	307.20 ± 1.00	K	NIST
Vc	2.285	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2213.69; 2256.06]	J/mol×K	[1320.15; 1892.67]
Cp,gas	2223.91	J/mol×K	1320.15	Joback Calculated Property
Cp,gas	2245.17	J/mol×K	1415.57	Joback Calculated Property
Cp,gas	2255.43	J/mol×K	1510.99	Joback Calculated Property
Cp,gas	2256.06	J/mol×K	1606.41	Joback Calculated Property
Cp,gas	2248.40	J/mol×K	1701.83	Joback Calculated Property
Cp,gas	2233.82	J/mol×K	1797.25	Joback Calculated Property
Cp,gas	2213.69	J/mol×K	1892.67	Joback Calculated Property
Cp,liquid	[1305.00; 1355.60]	J/mol×K	[323.00; 330.70]
Cp,liquid	1305.00	J/mol×K	323.00	NIST
Cp,liquid	1355.60	J/mol×K	330.70	NIST
η	[0.0000015; 0.0000345]	Pa×s	[730.77; 1320.15]
η	0.0000345	Pa×s	730.77	Joback Calculated Property
η	0.0000150	Pa×s	829.00	Joback Calculated Property
η	0.0000078	Pa×s	927.23	Joback Calculated Property
η	0.0000046	Pa×s	1025.46	Joback Calculated Property
η	0.0000030	Pa×s	1123.69	Joback Calculated Property
η	0.0000021	Pa×s	1221.92	Joback Calculated Property
η	0.0000015	Pa×s	1320.15	Joback Calculated Property
ΔfusH	[123.51; 123.51]	kJ/mol	[319.50; 319.50]
ΔfusH	123.51	kJ/mol	319.50	NIST
ΔfusH	123.51	kJ/mol	319.50	NIST
ΔvapH	[137.60; 147.10]	kJ/mol	[438.00; 489.00]
ΔvapH	147.10	kJ/mol	438.00	NIST
ΔvapH	137.60	kJ/mol	489.00	NIST
ρl	[870.40; 905.10]	kg/m3	[303.15; 353.15]
ρl	905.10	kg/m3	303.15	Thermod...
ρl	899.60	kg/m3	313.15	Thermod...
ρl	886.90	kg/m3	333.15	Thermod...
ρl	870.40	kg/m3	353.15	Thermod...

Similar Compounds

Find more compounds similar to Dodecanoic acid, 1,2,3-propanetriyl ester.

Mixtures

• Hexadecane + Dodecanoic acid, 1,2,3-propanetriyl ester
• Dodecanoic acid, 1,2,3-propanetriyl ester + 1-Octanol
• n-Hexane + Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid
• Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid + 1-Hexanol
• Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid + 1-Pentanol
• Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid + 1-Butanol
• 1-Propanol + Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid
• Isopropyl Alcohol + Dodecanoic acid, 1,2,3-propanetriyl ester + n-Decanoic acid
• Propane, 1-bromo- + Dodecanoic acid, 1,2,3-propanetriyl ester

Sources

• 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
• Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
• Thermodynamic Modeling of Triglycerides using PC-SAFT
• Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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