Chemical Properties of Icosa-5,8,11,14-tetraenoic acid octadecyl ester, Z,Z,Z,Z

InChI

InChI=1S/C38H68O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30H,3-10,12,14-16,18,20-21,23,25-27,29,31-37H2,1-2H3/b13-11+,19-17+,24-22+,30-28+

InChI Key

INCGCRQVVSKVJP-LGHBDAFPSA-N

Formula

C38H68O2

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

556.96

• 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_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-887.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	99.35	kJ/mol	Joback Calculated Property
ΔvapH°	177.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-10.50		Relay (1.0) Calculated Property
logPoct/wat	12.937		Crippen Calculated Property
McVol	536.520	ml/mol	McGowan Calculated Property
Pc	461.89	kPa	Joback Calculated Property
Inp	[3863.07; 3863.07]
Inp	3863.07		NIST
Inp	3863.07		NIST
Tboil	707.96	K	Relay (1.0) Calculated Property
Tc	910.73	K	Relay (1.0) Calculated Property
Tfus	256.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1969.51; 2177.95]	J/mol×K	[1143.90; 1478.23]
Cp,gas	1969.51	J/mol×K	1143.90	Joback Calculated Property
Cp,gas	2005.68	J/mol×K	1199.62	Joback Calculated Property
Cp,gas	2040.49	J/mol×K	1255.34	Joback Calculated Property
Cp,gas	2074.52	J/mol×K	1311.06	Joback Calculated Property
Cp,gas	2108.38	J/mol×K	1366.78	Joback Calculated Property
Cp,gas	2142.66	J/mol×K	1422.50	Joback Calculated Property
Cp,gas	2177.95	J/mol×K	1478.23	Joback Calculated Property
η	[0.0000024; 0.0001439]	Pa×s	[540.03; 1143.90]
η	0.0001439	Pa×s	540.03	Joback Calculated Property
η	0.0000426	Pa×s	640.67	Joback Calculated Property
η	0.0000176	Pa×s	741.32	Joback Calculated Property
η	0.0000089	Pa×s	841.97	Joback Calculated Property
η	0.0000053	Pa×s	942.61	Joback Calculated Property
η	0.0000034	Pa×s	1043.26	Joback Calculated Property
η	0.0000024	Pa×s	1143.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid octadecyl ester, Z,Z,Z,Z.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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