Chemical Properties of Tetradecanoic acid, 1,2,3-propanetriyl ester

InChI

InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3

InChI Key

DUXYWXYOBMKGIN-UHFFFAOYSA-N

Formula

C45H86O6

SMILES

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

Molecular Weight¹

723.18

Other Names

• 1,2,3-propanetriyl tri(tetradecanoate)
• 2,3-Bis(tetradecanoyloxy)propyl myristate
• Glyceryl tritetradecanoate
• Myristin
• NSC 4062
• Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• VP 114
• dynasan 114
• glycerin trimyristate
• glycerol trimyristate
• glyceryl trimyristate
• myristic acid triglyceride
• myristic triglyceride
• myristin, tri-
• tetradecanoic acid 1,2,3-propanetriyl ester
• trimyristin

• 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_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).
• 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).
• P_vap : Vapor 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).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.7996		ChemSep v8.3 pure component data Compiled value
ΔcH°solid	-27643.70 ± 1.80	kJ/mol	NIST
ΔfG°	-760.43	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-1929.25	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	121.89	kJ/mol	Joback Calculated Property
ΔvapH°	199.20 ± 6.90	kJ/mol	NIST
IE	10.17	eV	Relay (1.0) Calculated Property
log10WS	-11.91		Relay (1.0) Calculated Property
logPoct/wat	14.088		Crippen Calculated Property
McVol	667.230	ml/mol	McGowan Calculated Property
Pc	288.30	kPa	ChemSep v8.3 pure component data Compiled value
S°liquid	1246.00	J/mol×K	NIST
Tboil	849.80	K	ChemSep v8.3 pure component data Compiled value
Tc	[912.40; 925.00]	K
Tc	925.00	K	Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
Tc	912.40	K	ChemSep v8.3 pure component data Compiled value
Tfus	[329.65; 331.10]	K
Tfus	331.10	K	Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
Tfus	329.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	330.15	K	ChemSep v8.3 pure component data Compiled value
Ttriple	[305.10; 330.80]	K
Ttriple	330.15	K	ChemSep v8.3 pure component data Compiled value
Ttriple	305.10 ± 1.00	K	NIST
Ttriple	319.70 ± 1.00	K	NIST
Ttriple	330.80 ± 1.00	K	NIST
Ttriple	305.50 ± 0.20	K	NIST
Ttriple	330.20 ± 0.20	K	NIST
Ttriple	305.50 ± 0.20	K	NIST
Ttriple	330.20 ± 0.20	K	NIST
UQi	25.93		ChemSep v8.3 pure component data Compiled value
URi	31.78		ChemSep v8.3 pure component data Compiled value
Vc	4.200	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.1596150		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[1481.00; 1555.20]	J/mol×K	[331.50; 333.00]
Cp,liquid	1555.20	J/mol×K	331.50	NIST
Cp,liquid	1481.00	J/mol×K	333.00	NIST
ΔfusH	[152.20; 152.20]	kJ/mol	[330.20; 330.20]
ΔfusH	152.20	kJ/mol	330.20	NIST
ΔfusH	152.20	kJ/mol	330.20	NIST
ΔvapH	[147.80; 155.80]	kJ/mol	[469.00; 519.50]
ΔvapH	155.80	kJ/mol	469.00	NIST
ΔvapH	147.80	kJ/mol	519.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[874.82; 2634.59]	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			4.44647e+02
Coefficient B			-5.00000e+02
Coefficient C			8.02496e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	874.82	J/mol×K	255.00	Calculated Property
Cp,gas	1301.94	J/mol×K	393.33	Calculated Property
Cp,gas	1638.00	J/mol×K	531.67	Calculated Property
Cp,gas	1893.74	J/mol×K	670.00	Calculated Property
Cp,gas	2091.15	J/mol×K	808.33	Calculated Property
Cp,gas	2246.90	J/mol×K	946.67	Calculated Property
Cp,gas	2372.45	J/mol×K	1085.00	Calculated Property
Cp,gas	2475.57	J/mol×K	1223.33	Calculated Property
Cp,gas	2561.67	J/mol×K	1361.67	Calculated Property
Cp,gas	2634.59	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0153334; 0.0003573]	Pa×s	[330.15; 849.80]	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			-4.59810e+01
Coefficient B			4.50730e+03
Coefficient C			4.85400e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.15
Temperature range, max.			849.80
η	0.0153334	Pa×s	330.15	Calculated Property
η	0.0043937	Pa×s	387.89	Calculated Property
η	0.0019120	Pa×s	445.63	Calculated Property
η	0.0010826	Pa×s	503.37	Calculated Property
η	0.0007298	Pa×s	561.11	Calculated Property
η	0.0005549	Pa×s	618.84	Calculated Property
η	0.0004595	Pa×s	676.58	Calculated Property
η	0.0004050	Pa×s	734.32	Calculated Property
η	0.0003738	Pa×s	792.06	Calculated Property
η	0.0003573	Pa×s	849.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.12e-13; 288.20]	kPa	[330.15; 912.40]	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			2.12050e+02
Coefficient B			-3.12233e+04
Coefficient C			-2.53982e+01
Coefficient D			1.64772e-18
Coefficient E			6.00000e+00
Temperature range, min.			330.15
Temperature range, max.			912.40
Pvap	1.12e-13	kPa	330.15	Calculated Property
Pvap	6.42e-09	kPa	394.84	Calculated Property
Pvap	9.39e-06	kPa	459.54	Calculated Property
Pvap	1.48e-03	kPa	524.23	Calculated Property
Pvap	0.06	kPa	588.93	Calculated Property
Pvap	0.79	kPa	653.62	Calculated Property
Pvap	5.86	kPa	718.32	Calculated Property
Pvap	27.72	kPa	783.01	Calculated Property
Pvap	97.59	kPa	847.71	Calculated Property
Pvap	288.20	kPa	912.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[886.79; 172.06]	kg/m3	[330.15; 912.40]	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			2.74830e+01
Coefficient B			1.59730e-01
Coefficient C			9.12400e+02
Coefficient D			2.49540e-01
Temperature range, min.			330.15
Temperature range, max.			912.40
ρl	886.79	kg/m3	330.15	Calculated Property
ρl	845.66	kg/m3	394.84	Calculated Property
ρl	802.66	kg/m3	459.54	Calculated Property
ρl	757.34	kg/m3	524.23	Calculated Property
ρl	709.03	kg/m3	588.93	Calculated Property
ρl	656.69	kg/m3	653.62	Calculated Property
ρl	598.50	kg/m3	718.32	Calculated Property
ρl	530.84	kg/m3	783.01	Calculated Property
ρl	443.86	kg/m3	847.71	Calculated Property
ρl	172.06	kg/m3	912.40	Calculated Property

Similar Compounds

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

Mixtures

• Oleic Acid + n-Hexane + Tetradecanoic acid, 1,2,3-propanetriyl ester
• Oleic Acid + Tetradecanoic acid, 1,2,3-propanetriyl ester + 1-Hexanol
• Oleic Acid + Tetradecanoic acid, 1,2,3-propanetriyl ester + 1-Butanol
• Oleic Acid + 1-Propanol + Tetradecanoic acid, 1,2,3-propanetriyl ester
• Oleic Acid + 2-Propanol + Tetradecanoic acid, 1,2,3-propanetriyl ester
• Tetradecanoic acid, 1,2,3-propanetriyl ester + Propane, 1-bromo-
• Tetradecanoic acid, 1,2,3-propanetriyl ester + Hexadecane

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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)
• 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
• Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
• Joback Method
• McGowan Method
• NIST Webbook

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