Chemical Properties of Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester (CAS 55124-95-3)

InChI

InChI=1S/C20H40O2/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3)19(4)20(21)22-5/h17-19H,6-16H2,1-5H3

InChI Key

YGOVFMOPCPODED-UHFFFAOYSA-N

Formula

C20H40O2

SMILES

CCCCCCCCCCCCC(C)C(C)C(C)C(=O)OC

Molecular Weight¹

312.53

CAS

55124-95-3

Other Names

• methyl 2,3,4-trimethylhexadecanoate

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.81; 1016.64]	J/mol×K	[731.97; 907.27]
Cp,gas	909.81	J/mol×K	731.97	Joback Calculated Property
Cp,gas	929.99	J/mol×K	761.19	Joback Calculated Property
Cp,gas	949.19	J/mol×K	790.40	Joback Calculated Property
Cp,gas	967.43	J/mol×K	819.62	Joback Calculated Property
Cp,gas	984.73	J/mol×K	848.83	Joback Calculated Property
Cp,gas	1001.13	J/mol×K	878.05	Joback Calculated Property
Cp,gas	1016.64	J/mol×K	907.27	Joback Calculated Property
η	[0.0000576; 0.0036948]	Pa×s	[342.32; 731.97]
η	0.0036948	Pa×s	342.32	Joback Calculated Property
η	0.0010626	Pa×s	407.26	Joback Calculated Property
η	0.0004305	Pa×s	472.20	Joback Calculated Property
η	0.0002170	Pa×s	537.14	Joback Calculated Property
η	0.0001268	Pa×s	602.09	Joback Calculated Property
η	0.0000823	Pa×s	667.03	Joback Calculated Property
η	0.0000576	Pa×s	731.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester.

Sources

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

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