Chemical Properties of cis-5,8,11-Eicosatrienoic acid, methyl ester

InChI

InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-

InChI Key

AESHPAQQBZWZMS-NWFXIAEYSA-N

Formula

C21H36O2

SMILES

CCCCCCCCC=CCC=CCC=CCCCC(=O)OC

Molecular Weight¹

320.51

• 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	[425.30; 1019.10]	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			-3.33380e+01
Coefficient B			2.00404e+00
Coefficient C			-1.27540e-03
Coefficient D			3.23800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	425.30	J/mol×K	273.00	Calculated Property
Cp,gas	530.36	J/mol×K	353.78	Calculated Property
Cp,gas	623.26	J/mol×K	434.56	Calculated Property
Cp,gas	705.02	J/mol×K	515.33	Calculated Property
Cp,gas	776.67	J/mol×K	596.11	Calculated Property
Cp,gas	839.24	J/mol×K	676.89	Calculated Property
Cp,gas	893.74	J/mol×K	757.67	Calculated Property
Cp,gas	941.20	J/mol×K	838.44	Calculated Property
Cp,gas	982.65	J/mol×K	919.22	Calculated Property
Cp,gas	1019.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018293; 0.0000627]	Pa×s	[353.52; 651.72]	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			-1.36761e+01
Coefficient B			2.60624e+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.			353.52
Temperature range, max.			651.72
η	0.0018293	Pa×s	353.52	Calculated Property
η	0.0009726	Pa×s	386.65	Calculated Property
η	0.0005713	Pa×s	419.79	Calculated Property
η	0.0003628	Pa×s	452.92	Calculated Property
η	0.0002451	Pa×s	486.05	Calculated Property
η	0.0001740	Pa×s	519.18	Calculated Property
η	0.0001288	Pa×s	552.32	Calculated Property
η	0.0000986	Pa×s	585.45	Calculated Property
η	0.0000777	Pa×s	618.58	Calculated Property
η	0.0000627	Pa×s	651.72	Calculated Property

Similar Compounds

Find more compounds similar to cis-5,8,11-Eicosatrienoic acid, methyl ester.

Sources

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

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