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

• 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-27643.70 ± 1.80	kJ/mol	NIST
ΔfH°gas	-1867.44	kJ/mol	Relay (1.0) Calculated Property
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	328.78	kPa	Joback Calculated Property
S°liquid	1246.00	J/mol×K	NIST
Tboil	785.45	K	Relay (1.0) Calculated Property
Tc	925.00	K	Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
Tfus	331.10	K	Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
Ttriple	[305.10; 330.80]	K
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

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	[2470.94; 2585.64]	J/mol×K	[1403.42; 2247.81]
Cp,gas	2571.48	J/mol×K	1403.42	Joback Calculated Property
Cp,gas	2585.64	J/mol×K	1544.15	Joback Calculated Property
Cp,gas	2579.58	J/mol×K	1684.88	Joback Calculated Property
Cp,gas	2559.18	J/mol×K	1825.62	Joback Calculated Property
Cp,gas	2530.34	J/mol×K	1966.35	Joback Calculated Property
Cp,gas	2498.96	J/mol×K	2107.08	Joback Calculated Property
Cp,gas	2470.94	J/mol×K	2247.81	Joback Calculated Property
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
η	[0.0000003; 0.0000179]	Pa×s	[708.90; 1403.42]
η	0.0000179	Pa×s	708.90	Joback Calculated Property
η	0.0000057	Pa×s	824.65	Joback Calculated Property
η	0.0000024	Pa×s	940.41	Joback Calculated Property
η	0.0000012	Pa×s	1056.16	Joback Calculated Property
η	0.0000007	Pa×s	1171.91	Joback Calculated Property
η	0.0000005	Pa×s	1287.67	Joback Calculated Property
η	0.0000003	Pa×s	1403.42	Joback Calculated Property
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

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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