Chemical Properties of cis-5,8,11,14,17-Eicosapentaenoic acid

InChI

InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3+,7-6?,10-9-,13-12+,16-15-

InChI Key

JAZBEHYOTPTENJ-JLNKQSITSA-N

Formula

C20H30O2

SMILES

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

Molecular Weight¹

302.46

Other Names

• Icosapentaenoic acid
• (all-Z)-5,8,11,14,17-Eicosapentaenoic acid
• EPA
• Timnodonic acid
• 5,8,11,14,17-Eicosapentaenoic acid, (5Z,8Z,11Z,14Z,17Z)-
• Eicosapentaenoic acid

• 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

Property	Value	Unit	Source
ΔfG°	174.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.71	kJ/mol	Joback Calculated Property
ΔvapH°	142.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	5.993		Crippen Calculated Property
McVol	278.600	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2334.20; 2334.20]
Inp	2334.20		NIST
Inp	2334.20		NIST
Tboil	606.90	K	Relay (1.0) Calculated Property
Tc	825.54	K	Relay (1.0) Calculated Property
Tfus	268.98	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Acentric Factor 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	[829.96; 918.65]	J/mol×K	[823.51; 1023.12]
Cp,gas	829.96	J/mol×K	823.51	Joback Calculated Property
Cp,gas	846.00	J/mol×K	856.78	Joback Calculated Property
Cp,gas	861.39	J/mol×K	890.05	Joback Calculated Property
Cp,gas	876.24	J/mol×K	923.31	Joback Calculated Property
Cp,gas	890.66	J/mol×K	956.58	Joback Calculated Property
Cp,gas	904.76	J/mol×K	989.85	Joback Calculated Property
Cp,gas	918.65	J/mol×K	1023.12	Joback Calculated Property
η	[0.0000321; 0.0005617]	Pa×s	[450.36; 823.51]
η	0.0005617	Pa×s	450.36	Joback Calculated Property
η	0.0002611	Pa×s	512.55	Joback Calculated Property
η	0.0001432	Pa×s	574.74	Joback Calculated Property
η	0.0000883	Pa×s	636.93	Joback Calculated Property
η	0.0000594	Pa×s	699.13	Joback Calculated Property
η	0.0000426	Pa×s	761.32	Joback Calculated Property
η	0.0000321	Pa×s	823.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-5,8,11,14,17-Eicosapentaenoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
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