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
• Glycerol tris(palmitate)
• 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

• 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).
• γ : Surface Tension (N/m).
• 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	1.9744		ChemSep v8.3 pure component data Compiled value
ΔcH°solid	-31605.90 ± 1.80	kJ/mol	NIST
ΔfG°	-709.01	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-2053.09	kJ/mol	ChemSep v8.3 pure component data Compiled value
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	236.80	kPa	ChemSep v8.3 pure component data Compiled value
S°liquid	1387.40	J/mol×K	NIST
Tboil	876.00	K	ChemSep v8.3 pure component data Compiled value
Tc	925.30	K	ChemSep v8.3 pure component data Compiled value
Tfus	[337.40; 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	337.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	339.01	K	ChemSep v8.3 pure component data Compiled value
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	338.90	K	ChemSep v8.3 pure component data Compiled value
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
Ttriple	317.90 ± 0.20	K	NIST
Ttriple	338.90 ± 0.20	K	NIST
UQi	29.17		ChemSep v8.3 pure component data Compiled value
URi	35.83		ChemSep v8.3 pure component data Compiled value
Vc	4.950	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.1523600		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[985.47; 2976.16]	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			4.98847e+02
Coefficient B			-5.00000e+02
Coefficient C			8.14826e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	985.47	J/mol×K	255.00	Calculated Property
Cp,gas	1468.64	J/mol×K	393.33	Calculated Property
Cp,gas	1848.80	J/mol×K	531.67	Calculated Property
Cp,gas	2138.10	J/mol×K	670.00	Calculated Property
Cp,gas	2361.41	J/mol×K	808.33	Calculated Property
Cp,gas	2537.60	J/mol×K	946.67	Calculated Property
Cp,gas	2679.62	J/mol×K	1085.00	Calculated Property
Cp,gas	2796.28	J/mol×K	1223.33	Calculated Property
Cp,gas	2893.68	J/mol×K	1361.67	Calculated Property
Cp,gas	2976.16	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0169569; 0.0004224]	Pa×s	[338.90; 876.00]	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			-4.80850e+01
Coefficient B			4.74470e+03
Coefficient C			5.15090e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			338.90
Temperature range, max.			876.00
η	0.0169569	Pa×s	338.90	Calculated Property
η	0.0048063	Pa×s	398.58	Calculated Property
η	0.0020925	Pa×s	458.26	Calculated Property
η	0.0011923	Pa×s	517.93	Calculated Property
η	0.0008115	Pa×s	577.61	Calculated Property
η	0.0006240	Pa×s	637.29	Calculated Property
η	0.0005231	Pa×s	696.97	Calculated Property
η	0.0004668	Pa×s	756.64	Calculated Property
η	0.0004364	Pa×s	816.32	Calculated Property
η	0.0004224	Pa×s	876.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.92e-14; 236.80]	kPa	[338.90; 925.30]	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			2.29814e+02
Coefficient B			-3.40926e+04
Coefficient C			-2.76021e+01
Coefficient D			1.63072e-18
Coefficient E			6.00000e+00
Temperature range, min.			338.90
Temperature range, max.			925.30
Pvap	1.92e-14	kPa	338.90	Calculated Property
Pvap	1.67e-09	kPa	404.06	Calculated Property
Pvap	3.34e-06	kPa	469.21	Calculated Property
Pvap	6.63e-04	kPa	534.37	Calculated Property
Pvap	0.03	kPa	599.52	Calculated Property
Pvap	0.48	kPa	664.68	Calculated Property
Pvap	3.94	kPa	729.83	Calculated Property
Pvap	20.20	kPa	794.99	Calculated Property
Pvap	75.84	kPa	860.14	Calculated Property
Pvap	236.80	kPa	925.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[875.20; 163.14]	kg/m3	[338.90; 925.30]	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			2.48493e+01
Coefficient B			1.52320e-01
Coefficient C			9.25300e+02
Coefficient D			2.48860e-01
Temperature range, min.			338.90
Temperature range, max.			925.30
ρl	875.20	kg/m3	338.90	Calculated Property
ρl	833.75	kg/m3	404.06	Calculated Property
ρl	790.46	kg/m3	469.21	Calculated Property
ρl	744.88	kg/m3	534.37	Calculated Property
ρl	696.35	kg/m3	599.52	Calculated Property
ρl	643.85	kg/m3	664.68	Calculated Property
ρl	585.59	kg/m3	729.83	Calculated Property
ρl	517.99	kg/m3	794.99	Calculated Property
ρl	431.34	kg/m3	860.14	Calculated Property
ρl	163.14	kg/m3	925.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[338.15; 593.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.06157e-02
Coefficient B			-6.72000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			338.15
Temperature range, max.			593.15
γ	0.03	N/m	338.15	Calculated Property
γ	0.03	N/m	366.48	Calculated Property
γ	0.02	N/m	394.82	Calculated Property
γ	0.02	N/m	423.15	Calculated Property
γ	0.02	N/m	451.48	Calculated Property
γ	0.02	N/m	479.82	Calculated Property
γ	0.02	N/m	508.15	Calculated Property
γ	0.01	N/m	536.48	Calculated Property
γ	0.01	N/m	564.82	Calculated Property
γ	0.01	N/m	593.15	Calculated Property

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

• 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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• 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
• 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
• KDB
• McGowan Method
• NIST Webbook

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