Chemical Properties of Trimyristin (CAS 555-45-3)

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

723.16

CAS

555-45-3

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
• tetradecanoic acid, 1,2,3-propanetriyl ester

• 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).
• 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
ω	1.9336		Relay (1.0) Calculated Property
ΔcH°solid	-27643.70 ± 1.80	kJ/mol	NIST
ΔfG°	-376.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1867.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	117.14	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	343.95	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
Vc	2.568	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2538.38; 2620.22]	J/mol×K	[1457.43; 2403.78]
Cp,gas	2603.95	J/mol×K	1457.43	Joback Calculated Property
Cp,gas	2620.22	J/mol×K	1615.15	Joback Calculated Property
Cp,gas	2615.17	J/mol×K	1772.88	Joback Calculated Property
Cp,gas	2596.65	J/mol×K	1930.60	Joback Calculated Property
Cp,gas	2572.46	J/mol×K	2088.33	Joback Calculated Property
Cp,gas	2550.43	J/mol×K	2246.05	Joback Calculated Property
Cp,gas	2538.38	J/mol×K	2403.78	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	[0.0000005; 0.0000133]	Pa×s	[798.39; 1457.43]
η	0.0000133	Pa×s	798.39	Joback Calculated Property
η	0.0000056	Pa×s	908.23	Joback Calculated Property
η	0.0000028	Pa×s	1018.07	Joback Calculated Property
η	0.0000017	Pa×s	1127.91	Joback Calculated Property
η	0.0000011	Pa×s	1237.75	Joback Calculated Property
η	0.0000007	Pa×s	1347.59	Joback Calculated Property
η	0.0000005	Pa×s	1457.43	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 Trimyristin.

Mixtures

• Trimyristin + Hexadecane
• Oleic Acid + n-Hexane + Trimyristin
• Oleic Acid + Trimyristin + 1-Hexanol
• Oleic Acid + Trimyristin + 1-Butanol
• Oleic Acid + 1-Propanol + Trimyristin
• Oleic Acid + Isopropyl Alcohol + Trimyristin
• Trimyristin + Propane, 1-bromo-

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
• 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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