Chemical Properties of Hexadecanoic acid, 2,3,4-trimethyl-, methyl ester

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

312.54

Other Names

• methyl 2,3,4-trimethylhexadecanoate

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.15; 1060.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.07100e+00
Coefficient B			1.86680e+00
Coefficient C			-9.79200e-04
Coefficient D			1.68200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.15	J/mol×K	273.00	Calculated Property
Cp,gas	550.40	J/mol×K	353.78	Calculated Property
Cp,gas	645.19	J/mol×K	434.56	Calculated Property
Cp,gas	730.07	J/mol×K	515.33	Calculated Property
Cp,gas	805.56	J/mol×K	596.11	Calculated Property
Cp,gas	872.20	J/mol×K	676.89	Calculated Property
Cp,gas	930.52	J/mol×K	757.67	Calculated Property
Cp,gas	981.05	J/mol×K	838.44	Calculated Property
Cp,gas	1024.32	J/mol×K	919.22	Calculated Property
Cp,gas	1060.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066298; 0.0000913]	Pa×s	[312.49; 620.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36463e+01
Coefficient B			2.69682e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			312.49
Temperature range, max.			620.65
η	0.0066298	Pa×s	312.49	Calculated Property
η	0.0028274	Pa×s	346.73	Calculated Property
η	0.0014054	Pa×s	380.97	Calculated Property
η	0.0007839	Pa×s	415.21	Calculated Property
η	0.0004780	Pa×s	449.45	Calculated Property
η	0.0003125	Pa×s	483.69	Calculated Property
η	0.0002162	Pa×s	517.93	Calculated Property
η	0.0001565	Pa×s	552.17	Calculated Property
η	0.0001177	Pa×s	586.41	Calculated Property
η	0.0000913	Pa×s	620.65	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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