Chemical Properties of 5,8,11,14,17-Eicosapentaenoic acid, methyl ester, (all-Z)- (CAS 2734-47-6)

InChI

InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-

InChI Key

QWDCYFDDFPWISL-JEBPEJKESA-N

Formula

C21H32O2

SMILES

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

Molecular Weight¹

316.48

CAS

2734-47-6

Other Names

• Methyl Z,Z,Z,Z,Z 5,8,11,14,17-eicosapentaeneoate
• cis-5,8,11,14,17-Eicosapentaenoic acid, methyl ester

• 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).
• 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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.53; 935.75]	J/mol×K	[759.10; 947.77]
Cp,gas	841.53	J/mol×K	759.10	Joback Calculated Property
Cp,gas	859.20	J/mol×K	790.55	Joback Calculated Property
Cp,gas	875.98	J/mol×K	821.99	Joback Calculated Property
Cp,gas	891.95	J/mol×K	853.44	Joback Calculated Property
Cp,gas	907.18	J/mol×K	884.88	Joback Calculated Property
Cp,gas	921.76	J/mol×K	916.33	Joback Calculated Property
Cp,gas	935.75	J/mol×K	947.77	Joback Calculated Property
η	[0.0000278; 0.0016471]	Pa×s	[343.36; 759.10]
η	0.0016471	Pa×s	343.36	Joback Calculated Property
η	0.0004713	Pa×s	412.65	Joback Calculated Property
η	0.0001933	Pa×s	481.94	Joback Calculated Property
η	0.0000991	Pa×s	551.23	Joback Calculated Property
η	0.0000590	Pa×s	620.52	Joback Calculated Property
η	0.0000390	Pa×s	689.81	Joback Calculated Property
η	0.0000278	Pa×s	759.10	Joback Calculated Property
ΔvapH	121.00	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 5,8,11,14,17-Eicosapentaenoic acid, methyl ester, (all-Z)-.

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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