Chemical Properties of Icosa-5,8,11,14-tetraenoic acid octadec-9-enyl ester

InChI

InChI=1S/C38H66O2/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/h11,13,17-20,22,24,28,30H,3-10,12,14-16,21,23,25-27,29,31-37H2,1-2H3/b13-11-,19-17-,20-18+,24-22-,30-28-

InChI Key

JHFDJRJMMSRXPU-WJNKXSRCSA-N

Formula

C38H66O2

SMILES

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCCCCCCCC=CCCCCCCCC

Molecular Weight¹

554.93

• 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	-880.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	99.56	kJ/mol	Joback Calculated Property
ΔvapH°	168.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-10.39		Relay (1.0) Calculated Property
logPoct/wat	12.713		Crippen Calculated Property
McVol	532.220	ml/mol	McGowan Calculated Property
Pc	472.38	kPa	Joback Calculated Property
Inp	[3837.23; 3837.23]
Inp	3837.23		NIST
Inp	3837.23		NIST
Tboil	722.79	K	Relay (1.0) Calculated Property
Tc	906.62	K	Relay (1.0) Calculated Property
Tfus	282.02	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	[1942.32; 2160.54]	J/mol×K	[1148.06; 1474.40]
Cp,gas	1942.32	J/mol×K	1148.06	Joback Calculated Property
Cp,gas	1978.59	J/mol×K	1202.45	Joback Calculated Property
Cp,gas	2014.10	J/mol×K	1256.84	Joback Calculated Property
Cp,gas	2049.45	J/mol×K	1311.23	Joback Calculated Property
Cp,gas	2085.24	J/mol×K	1365.62	Joback Calculated Property
Cp,gas	2122.07	J/mol×K	1420.01	Joback Calculated Property
Cp,gas	2160.54	J/mol×K	1474.40	Joback Calculated Property
η	[0.0000021; 0.0001355]	Pa×s	[534.95; 1148.06]
η	0.0001355	Pa×s	534.95	Joback Calculated Property
η	0.0000389	Pa×s	637.13	Joback Calculated Property
η	0.0000158	Pa×s	739.32	Joback Calculated Property
η	0.0000080	Pa×s	841.50	Joback Calculated Property
η	0.0000047	Pa×s	943.69	Joback Calculated Property
η	0.0000030	Pa×s	1045.88	Joback Calculated Property
η	0.0000021	Pa×s	1148.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid octadec-9-enyl ester.

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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