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

CCCCC/C=C\C/C=C\CCCCCCCCCC(=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	0.8352		Relay (1.0) Calculated Property
ΔfG°	-23.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-632.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.92	kJ/mol	Joback Calculated Property
ΔvapH°	115.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-6.32		Relay (1.0) Calculated Property
logPoct/wat	6.753		Crippen Calculated Property
McVol	305.590	ml/mol	McGowan Calculated Property
Pc	1024.00	kPa	Joback Calculated Property
Inp	[2279.00; 2305.90]
Inp	2279.00		NIST
Inp	2305.90		NIST
Inp	2279.00		NIST
Tboil	590.85	K	Relay (1.0) Calculated Property
Tc	788.53	K	Relay (1.0) Calculated Property
Tfus	257.60	K	Relay (1.0) Calculated Property
Vc	1.109	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.96; 1014.41]	J/mol×K	[746.62; 923.23]
Cp,gas	912.96	J/mol×K	746.62	Joback Calculated Property
Cp,gas	932.10	J/mol×K	776.05	Joback Calculated Property
Cp,gas	950.29	J/mol×K	805.49	Joback Calculated Property
Cp,gas	967.58	J/mol×K	834.92	Joback Calculated Property
Cp,gas	984.00	J/mol×K	864.36	Joback Calculated Property
Cp,gas	999.59	J/mol×K	893.79	Joback Calculated Property
Cp,gas	1014.41	J/mol×K	923.23	Joback Calculated Property
η	[0.0000427; 0.0019310]	Pa×s	[358.60; 746.62]
η	0.0019310	Pa×s	358.60	Joback Calculated Property
η	0.0006297	Pa×s	423.27	Joback Calculated Property
η	0.0002764	Pa×s	487.94	Joback Calculated Property
η	0.0001471	Pa×s	552.61	Joback Calculated Property
η	0.0000893	Pa×s	617.28	Joback Calculated Property
η	0.0000596	Pa×s	681.95	Joback Calculated Property
η	0.0000427	Pa×s	746.62	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.