Chemical Properties of Triarachine (CAS 620-64-4)

InChI

InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3

InChI Key

KCVWRCXEUJUXIG-UHFFFAOYSA-N

Formula

C63H122O6

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

Molecular Weight¹

975.64

CAS

620-64-4

Other Names

• Triarachidin
• Eicosanoic acid, 1,2,3-propanetriyl ester
• Triaachidin
• 1,2,3-Propanetriol trieicosanoate
• Propane-1,2,3-triyl triicosanoate
• Glyceryl triarachidate
• Glycerol triarachidate
• Triarachidoylglycerol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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
ΔcH°solid	-39467.70 ± 1.80	kJ/mol	NIST
ΔfG°	-224.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-2083.33	kJ/mol	Joback Calculated Property
ΔfusH°	163.76	kJ/mol	Joback Calculated Property
ΔvapH°	182.91	kJ/mol	Joback Calculated Property
log10WS	-22.89		Crippen Calculated Property
logPoct/wat	21.110		Crippen Calculated Property
McVol	920.850	ml/mol	McGowan Calculated Property
Pc	197.26	kPa	Joback Calculated Property
Tboil	1869.27	K	Joback Calculated Property
Tc	10477.66	K	Joback Calculated Property
Tfus	1001.25	K	Joback Calculated Property
Ttriple	[335.50; 351.50]	K
Ttriple	335.50 ± 1.00	K	NIST
Ttriple	351.50 ± 1.00	K	NIST
Ttriple	342.40 ± 1.00	K	NIST
Vc	3.630	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[3762.61; 357311.52]	J/mol×K	[1869.27; 10477.66]
T(K) Ideal gas heat capacity (J/mol×K) 0 50000 100000 150000 200000 250000 300000 350000 5000 10000
Cp,gas	3762.61	J/mol×K	1869.27	Joback Calculated Property
Cp,gas	5715.30	J/mol×K	3304.00	Joback Calculated Property
Cp,gas	17545.35	J/mol×K	4738.73	Joback Calculated Property
Cp,gas	48936.37	J/mol×K	6173.47	Joback Calculated Property
Cp,gas	109571.98	J/mol×K	7608.20	Joback Calculated Property
Cp,gas	209135.83	J/mol×K	9042.93	Joback Calculated Property
Cp,gas	357311.52	J/mol×K	10477.66	Joback Calculated Property
η	[2.0763975e-08; 0.0000006]	Pa×s	[1001.25; 1869.27]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-7 2.00e-7 3.00e-7 4.00e-7 5.00e-7 6.00e-7 1000 1500
η	0.0000006	Pa×s	1001.25	Joback Calculated Property
η	0.0000003	Pa×s	1145.92	Joback Calculated Property
η	0.0000001	Pa×s	1290.59	Joback Calculated Property
η	6.8574290e-08	Pa×s	1435.26	Joback Calculated Property
η	4.2809272e-08	Pa×s	1579.93	Joback Calculated Property
η	2.8923078e-08	Pa×s	1724.60	Joback Calculated Property
η	2.0763975e-08	Pa×s	1869.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Triarachine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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