Chemical Properties of METHYL EICOSA-5,8,11,14,17-PENTAENOATE

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-ZACMJQCDSA-N

Formula

C21H32O2

SMILES

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC

Molecular Weight¹

316.48

Other Names

• 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).
• 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 : 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	0.5247		Relay (1.0) Calculated Property
ΔfH°gas	-386.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.52	kJ/mol	Joback Calculated Property
ΔvapH°	122.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	6.081		Crippen Calculated Property
McVol	292.690	ml/mol	McGowan Calculated Property
Pc	1134.43	kPa	Joback Calculated Property
I	[2174.00; 2174.00]
I	2174.00		NIST
I	2174.00		NIST
Tboil	591.19	K	Relay (1.0) Calculated Property
Tc	779.95	K	Relay (1.0) Calculated Property
Tfus	289.90	K	Relay (1.0) Calculated Property
Vc	0.946	m3/kmol	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to METHYL EICOSA-5,8,11,14,17-PENTAENOATE.

Sources

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

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