Chemical Properties of Tristearin (CAS 555-43-1)

InChI

InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3

InChI Key

DCXXMTOCNZCJGO-UHFFFAOYSA-N

Formula

C57H110O6

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Molecular Weight¹

891.48

CAS

555-43-1

Other Names

• 1,2,3-Propanetriyl trioctadecanoate
• 1,2,3-propanetriyl tri(octadecanoate)
• Dynasan 118
• Glycowax S 932
• Hardened oil
• Octadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• Spezialfett 118
• Stearic triglyceride
• Stearin
• Stearoyl triglyceride
• Trioctadecanoin
• glycerol trioctadecanoate
• glycerol tristearate
• glyceryl tristearate
• octadecanoic acid, 1,2,3-propanetriyl ester
• stearic acid triglyceride
• stearic acid triglycerin ester
• stearin, tri-

• 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	2.3527		Relay (1.0) Calculated Property
ΔcH°solid	-35806.70 ± 1.80	kJ/mol	NIST
ΔfG°	-275.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-2107.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[115.71; 197.55]	kJ/mol
ΔfusH°	115.71	kJ/mol	Measurement and modelling of binary (solid + liquid + vapour) equilibria involving lipids and CO2
ΔfusH°	197.55	kJ/mol	Thermal Properties of Tristearin by Adiabatic and Differential Scanning Calorimetry
ΔvapH°	236.20 ± 8.30	kJ/mol	NIST
IE	10.59	eV	Relay (1.0) Calculated Property
log10WS	-15.24		Relay (1.0) Calculated Property
logPoct/wat	18.769		Crippen Calculated Property
McVol	836.310	ml/mol	McGowan Calculated Property
Pc	233.51	kPa	Joback Calculated Property
S°liquid	1534.70	J/mol×K	NIST
Tboil	859.77	K	Relay (1.0) Calculated Property
Tc	991.92	K	Relay (1.0) Calculated Property
Tfus	[330.00; 346.60]	K
Tfus	346.60	K	Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
Tfus	345.75	K	Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
Tfus	344.60 ± 2.00	K	NIST
Tfus	330.00 ± 1.00	K	NIST
Ttriple	[327.20; 346.30]	K
Ttriple	336.70 ± 1.00	K	NIST
Ttriple	346.30 ± 1.00	K	NIST
Ttriple	328.30 ± 1.00	K	NIST
Ttriple	327.20 ± 0.20	K	NIST
Ttriple	345.70 ± 0.20	K	NIST
Vc	3.214	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[3365.32; 17839.21]	J/mol×K	[1731.99; 4994.80]
Cp,gas	3365.32	J/mol×K	1731.99	Joback Calculated Property
Cp,gas	3432.81	J/mol×K	2275.79	Joback Calculated Property
Cp,gas	3827.04	J/mol×K	2819.59	Joback Calculated Property
Cp,gas	5006.40	J/mol×K	3363.39	Joback Calculated Property
Cp,gas	7429.29	J/mol×K	3907.19	Joback Calculated Property
Cp,gas	11554.09	J/mol×K	4451.00	Joback Calculated Property
Cp,gas	17839.21	J/mol×K	4994.80	Joback Calculated Property
Cp,liquid	[1969.00; 1975.00]	J/mol×K	[346.50; 353.00]
Cp,liquid	1969.00	J/mol×K	346.50	NIST
Cp,liquid	1975.00	J/mol×K	353.00	NIST
η	[6.1803902e-08; 0.0000018]	Pa×s	[933.63; 1731.99]
η	0.0000018	Pa×s	933.63	Joback Calculated Property
η	0.0000007	Pa×s	1066.69	Joback Calculated Property
η	0.0000004	Pa×s	1199.75	Joback Calculated Property
η	0.0000002	Pa×s	1332.81	Joback Calculated Property
η	0.0000001	Pa×s	1465.87	Joback Calculated Property
η	8.5769412e-08	Pa×s	1598.93	Joback Calculated Property
η	6.1803902e-08	Pa×s	1731.99	Joback Calculated Property
ΔfusH	[203.26; 203.26]	kJ/mol	[345.70; 345.70]
ΔfusH	203.26	kJ/mol	345.70	NIST
ΔfusH	203.26	kJ/mol	345.70	NIST
ΔvapH	[167.50; 174.90]	kJ/mol	[506.00; 554.50]
ΔvapH	174.90	kJ/mol	506.00	NIST
ΔvapH	167.50	kJ/mol	554.50	NIST

Similar Compounds

Find more compounds similar to Tristearin.

Mixtures

• Hexadecane + Tristearin
• Tripalmitin + Tristearin
• Tristearin + n-Hexadecanoic acid
• 9,12-Octadecadienoic acid (Z,Z)- + Tristearin
• Propane, 1-bromo- + Tristearin
• Carbon dioxide + Tristearin
• Tristearin + Sulfur hexafluoride
• Nitrogen + Tristearin

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and modelling of binary (solid + liquid + vapour) equilibria involving lipids and CO2
• Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
• Thermal Properties of Tristearin by Adiabatic and Differential Scanning Calorimetry
• Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
• Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
• Phase Equilibria of Glycerol Tristearate and Glycerol Trioleate in Carbon Dioxide and Sulfur Hexafluoride
• Joback Method
• McGowan Method
• NIST Webbook

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