Chemical Properties of 9,12-Hexadecadienoic acid, methyl ester (CAS 2462-80-8)

InChI

InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h5-6,8-9H,3-4,7,10-16H2,1-2H3/b6-5+,9-8+

InChI Key

VYFSOVMGRZVLMP-HHWLVVFRSA-N

Formula

C17H30O2

SMILES

CCCC=CCC=CCCCCCCCC(=O)OC

Molecular Weight¹

266.42

CAS

2462-80-8

• 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).
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.45; 843.32]	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			-1.55200e+01
Coefficient B			1.60404e+00
Coefficient C			-9.74000e-04
Coefficient D			2.28800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.45	J/mol×K	273.00	Calculated Property
Cp,gas	440.18	J/mol×K	353.78	Calculated Property
Cp,gas	516.37	J/mol×K	434.56	Calculated Property
Cp,gas	583.74	J/mol×K	515.33	Calculated Property
Cp,gas	643.02	J/mol×K	596.11	Calculated Property
Cp,gas	694.93	J/mol×K	676.89	Calculated Property
Cp,gas	740.19	J/mol×K	757.67	Calculated Property
Cp,gas	779.53	J/mol×K	838.44	Calculated Property
Cp,gas	813.66	J/mol×K	919.22	Calculated Property
Cp,gas	843.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030530; 0.0001117]	Pa×s	[313.52; 580.92]	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			-1.29789e+01
Coefficient B			2.25336e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			313.52
Temperature range, max.			580.92
η	0.0030530	Pa×s	313.52	Calculated Property
η	0.0016388	Pa×s	343.23	Calculated Property
η	0.0009714	Pa×s	372.94	Calculated Property
η	0.0006220	Pa×s	402.65	Calculated Property
η	0.0004234	Pa×s	432.37	Calculated Property
η	0.0003028	Pa×s	462.08	Calculated Property
η	0.0002256	Pa×s	491.79	Calculated Property
η	0.0001737	Pa×s	521.50	Calculated Property
η	0.0001376	Pa×s	551.21	Calculated Property
η	0.0001117	Pa×s	580.92	Calculated Property

Similar Compounds

Find more compounds similar to 9,12-Hexadecadienoic acid, methyl ester.

Sources

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

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