Chemical Properties of cis-11,14-Eicosadienoic acid, methyl ester

InChI

InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-

InChI Key

GWJCFAOQCNNFAM-NQLNTKRDSA-N

Formula

C21H38O2

SMILES

CCCCCC=CCC=CCCCCCCCCCC(=O)OC

Molecular Weight¹

322.53

Other Names

• (all-Z)-Methyl eicosa-11,14-dienoate
• 11,14-Eicosadienoic acid, methyl ester, (Z,Z)
• methyl Z,Z 11,14-eicosadienoate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Property	Value	Unit	Source
ω	0.8346		Relay (1.0) Calculated Property
ΔfG°	52.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-657.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.34	kJ/mol	Joback Calculated Property
ΔvapH°	110.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.753		Crippen Calculated Property
McVol	305.590	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2279.00; 2305.90]
Inp	2279.00		NIST
Inp	2305.90		NIST
Inp	2279.00		NIST
Tboil	599.73	K	Relay (1.0) Calculated Property
Tc	782.65	K	Relay (1.0) Calculated Property
Tfus	284.64	K	Relay (1.0) Calculated Property
Vc	1.120	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[921.82; 1023.10]	J/mol×K	[764.49; 943.97]
Cp,gas	921.82	J/mol×K	764.49	Joback Calculated Property
Cp,gas	940.85	J/mol×K	794.40	Joback Calculated Property
Cp,gas	958.97	J/mol×K	824.32	Joback Calculated Property
Cp,gas	976.21	J/mol×K	854.23	Joback Calculated Property
Cp,gas	992.61	J/mol×K	884.14	Joback Calculated Property
Cp,gas	1008.23	J/mol×K	914.06	Joback Calculated Property
Cp,gas	1023.10	J/mol×K	943.97	Joback Calculated Property
η	[0.0000481; 0.0013095]	Pa×s	[388.43; 764.49]
η	0.0013095	Pa×s	388.43	Joback Calculated Property
η	0.0005151	Pa×s	451.11	Joback Calculated Property
η	0.0002544	Pa×s	513.78	Joback Calculated Property
η	0.0001465	Pa×s	576.46	Joback Calculated Property
η	0.0000940	Pa×s	639.14	Joback Calculated Property
η	0.0000653	Pa×s	701.81	Joback Calculated Property
η	0.0000481	Pa×s	764.49	Joback Calculated Property
ΔvapH	117.50	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography

Similar Compounds

Find more compounds similar to cis-11,14-Eicosadienoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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