Chemical Properties of Hexadecanoic acid, 2-methyl-, methyl ester (CAS 2490-53-1)

InChI

InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20-3/h17H,4-16H2,1-3H3

InChI Key

OAMQXAKDCJRWHE-UHFFFAOYSA-N

Formula

C18H36O2

SMILES

CCCCCCCCCCCCCCC(C)C(=O)OC

Molecular Weight¹

284.48

CAS

2490-53-1

Other Names

• Methyl 2-methylhexadecanoate
• Methyl 2-methylpalmitate

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.35; 956.61]	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			1.02530e+01
Coefficient B			1.66496e+00
Coefficient C			-8.64000e-04
Coefficient D			1.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.35	J/mol×K	273.00	Calculated Property
Cp,gas	497.58	J/mol×K	353.78	Calculated Property
Cp,gas	582.55	J/mol×K	434.56	Calculated Property
Cp,gas	658.71	J/mol×K	515.33	Calculated Property
Cp,gas	726.53	J/mol×K	596.11	Calculated Property
Cp,gas	786.47	J/mol×K	676.89	Calculated Property
Cp,gas	838.99	J/mol×K	757.67	Calculated Property
Cp,gas	884.55	J/mol×K	838.44	Calculated Property
Cp,gas	923.60	J/mol×K	919.22	Calculated Property
Cp,gas	956.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042093; 0.0001337]	Pa×s	[319.95; 585.64]	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			-1.30743e+01
Coefficient B			2.43286e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			319.95
Temperature range, max.			585.64
η	0.0042093	Pa×s	319.95	Calculated Property
η	0.0022144	Pa×s	349.47	Calculated Property
η	0.0012875	Pa×s	378.99	Calculated Property
η	0.0008097	Pa×s	408.51	Calculated Property
η	0.0005420	Pa×s	438.03	Calculated Property
η	0.0003817	Pa×s	467.55	Calculated Property
η	0.0002802	Pa×s	497.07	Calculated Property
η	0.0002130	Pa×s	526.59	Calculated Property
η	0.0001667	Pa×s	556.12	Calculated Property
η	0.0001337	Pa×s	585.64	Calculated Property

Similar Compounds

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

Sources

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

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