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

• 1,2,3-Propanetriol trieicosanoate
• Eicosanoic acid, 1,2,3-propanetriyl ester
• Glycerol triarachidate
• Glyceryl triarachidate
• Propane-1,2,3-triyl triicosanoate
• Triaachidin
• Triarachidin
• 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_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).
• 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).
• 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	-39467.70 ± 1.80	kJ/mol	NIST
ΔfH°gas	-2229.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	168.51	kJ/mol	Joback Calculated Property
ΔvapH°	271.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.81	eV	Relay (1.0) Calculated Property
log10WS	-16.88		Relay (1.0) Calculated Property
logPoct/wat	21.110		Crippen Calculated Property
McVol	920.850	ml/mol	McGowan Calculated Property
Pc	190.62	kPa	Joback Calculated Property
Tboil	896.76	K	Relay (1.0) Calculated Property
Tc	1023.14	K	Relay (1.0) Calculated Property
Tfus	350.41	K	Relay (1.0) 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

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	[3703.40; 182715.00]	J/mol×K	[1815.26; 8639.12]
Cp,gas	3703.40	J/mol×K	1815.26	Joback Calculated Property
Cp,gas	4597.76	J/mol×K	2952.57	Joback Calculated Property
Cp,gas	10399.21	J/mol×K	4089.88	Joback Calculated Property
Cp,gas	26109.70	J/mol×K	5227.19	Joback Calculated Property
Cp,gas	56731.18	J/mol×K	6364.50	Joback Calculated Property
Cp,gas	107265.63	J/mol×K	7501.81	Joback Calculated Property
Cp,gas	182715.00	J/mol×K	8639.12	Joback Calculated Property
η	[1.2136324e-08; 0.0000007]	Pa×s	[911.76; 1815.26]
η	0.0000007	Pa×s	911.76	Joback Calculated Property
η	0.0000002	Pa×s	1062.34	Joback Calculated Property
η	9.3143320e-08	Pa×s	1212.93	Joback Calculated Property
η	4.7269063e-08	Pa×s	1363.51	Joback Calculated Property
η	2.7453380e-08	Pa×s	1514.09	Joback Calculated Property
η	1.7591684e-08	Pa×s	1664.68	Joback Calculated Property
η	1.2136324e-08	Pa×s	1815.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Triarachine.

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
• Joback Method
• 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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