Chemical Properties of Tripalmitin (CAS 555-44-2)

InChI

InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

InChI Key

PVNIQBQSYATKKL-UHFFFAOYSA-N

Formula

C51H98O6

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Molecular Weight¹

807.32

CAS

555-44-2

Other Names

• 1,2,3-propanetriyl tri(hexadecanoate)
• Barolub
• Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• dynasan 116
• glycerin tripalmitate
• glycerol tripalmitate
• glyceryl tripalmitate
• hexadecanoic acid 1,2,3-propanetriyl ester
• hexadecanoic acid, 1,2,3-propanetriyl ester
• palmitic acid triglycerin ester
• palmitic triglyceride
• palmitin, tri-
• spezialfett 116
• triglyceride PPP
• triglyceryl palmitate
• tripalmitate
• tripalmitoylglycerol

• 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	-31605.90 ± 1.80	kJ/mol	NIST
ΔfH°gas	-1986.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	121.00	kJ/mol	Binary solid liquid gas equilibrium of the tripalmitin/CO2 and ubiquinone/CO2 systems
ΔvapH°	217.10 ± 7.60	kJ/mol	NIST
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-13.59		Relay (1.0) Calculated Property
logPoct/wat	16.429		Crippen Calculated Property
McVol	751.770	ml/mol	McGowan Calculated Property
Pc	269.54	kPa	Joback Calculated Property
S°liquid	1387.40	J/mol×K	NIST
Tboil	822.74	K	Relay (1.0) Calculated Property
Tc	964.55	K	Relay (1.0) Calculated Property
Tfus	[337.95; 340.70]	K
Tfus	339.44	K	Solid-liquid phase equilibrium diagrams of binary mixtures containing fatty acids, fatty alcohol compounds and tripalmitin using differential scanning calorimetry
Tfus	340.70	K	Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
Tfus	339.00	K	Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems
Tfus	338.82	K	Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
Tfus	337.95	K	KDB
Tfus	338.80 ± 2.00	K	NIST
Tfus	339.40 ± 0.70	K	NIST
Ttriple	[317.90; 339.50]	K
Ttriple	318.40 ± 1.00	K	NIST
Ttriple	329.30 ± 1.00	K	NIST
Ttriple	339.50 ± 1.00	K	NIST
Ttriple	317.90 ± 0.20	K	NIST
Ttriple	338.90 ± 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	[2909.08; 3329.71]	J/mol×K	[1540.70; 3009.23]
Cp,gas	2944.64	J/mol×K	1540.70	Joback Calculated Property
Cp,gas	2944.25	J/mol×K	1785.45	Joback Calculated Property
Cp,gas	2919.97	J/mol×K	2030.21	Joback Calculated Property
Cp,gas	2909.08	J/mol×K	2274.96	Joback Calculated Property
Cp,gas	2948.88	J/mol×K	2519.72	Joback Calculated Property
Cp,gas	3076.66	J/mol×K	2764.47	Joback Calculated Property
Cp,gas	3329.71	J/mol×K	3009.23	Joback Calculated Property
Cp,liquid	[1665.00; 1753.10]	J/mol×K	[338.80; 343.00]
Cp,liquid	1753.10	J/mol×K	338.80	NIST
Cp,liquid	1665.00	J/mol×K	343.00	NIST
η	[0.0000001; 0.0000062]	Pa×s	[776.52; 1540.70]
η	0.0000062	Pa×s	776.52	Joback Calculated Property
η	0.0000020	Pa×s	903.88	Joback Calculated Property
η	0.0000008	Pa×s	1031.25	Joback Calculated Property
η	0.0000004	Pa×s	1158.61	Joback Calculated Property
η	0.0000002	Pa×s	1285.97	Joback Calculated Property
η	0.0000002	Pa×s	1413.34	Joback Calculated Property
η	0.0000001	Pa×s	1540.70	Joback Calculated Property
ΔfusH	[121.00; 179.37]	kJ/mol	[337.40; 340.50]
ΔfusH	121.00	kJ/mol	337.40	NIST
ΔfusH	179.37	kJ/mol	338.90	NIST
ΔfusH	179.37	kJ/mol	338.90	NIST
ΔfusH	162.60	kJ/mol	340.50	NIST
ΔvapH	[160.80; 166.30]	kJ/mol	[483.00; 539.00]
ΔvapH	166.30	kJ/mol	483.00	NIST
ΔvapH	160.80	kJ/mol	539.00	NIST

Similar Compounds

Find more compounds similar to Tripalmitin.

Mixtures

• Tripalmitin + Octanoic acid + 1-Hexanol
• 1-Propanol + Tripalmitin + Octanoic acid
• 2-Propanol + Tripalmitin + Octanoic acid
• Carbon dioxide + Tripalmitin
• Tripalmitin + n-Decanoic acid
• Dodecanoic acid + Tripalmitin
• Tripalmitin + Tetradecanoic acid
• Tripalmitin + n-Hexadecanoic acid
• Octadecanoic acid + Tripalmitin
• Tripalmitin + 1-Decanol
• 1-Dodecanol + Tripalmitin
• Tripalmitin + 1-Tetradecanol
• Propane, 1-bromo- + Tripalmitin
• Oleic Acid + Tripalmitin
• Triolein + Tripalmitin
• 9,12-Octadecadienoic acid (Z,Z)- + Tripalmitin
• Trilinolein + Tripalmitin
• Hexadecane + Tripalmitin
• Tripalmitin + Tristearin

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
• Binary solid liquid gas equilibrium of the tripalmitin/CO2 and ubiquinone/CO2 systems
• Solid-liquid phase equilibrium diagrams of binary mixtures containing fatty acids, fatty alcohol compounds and tripalmitin using differential scanning calorimetry
• Physical properties of systems of interest to the edible oil industry: Viscosities and densities of model systems formed by (triacylglycerol + fatty acid + solvent)
• Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
• Solid-Liquid Equilibria in Fatty Acid/Triglycerol Systems
• Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
• Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
• Joback Method
• KDB
• 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.
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