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

InChI

InChI=1S/C36H64O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28H,3-10,12,14-16,18,20,23-25,27,29-35H2,1-2H3/b13-11-,19-17-,22-21-,28-26-

InChI Key

WDZUHOOLQVWVLI-DCSOTDLTSA-N

Formula

C36H64O2

SMILES

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

528.89

• ω : Acentric Factor.
• 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
ω	1.2191		Relay (1.0) Calculated Property
ΔfG°	339.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-881.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	92.59	kJ/mol	Joback Calculated Property
ΔvapH°	159.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-10.22		Relay (1.0) Calculated Property
logPoct/wat	12.157		Crippen Calculated Property
McVol	508.340	ml/mol	McGowan Calculated Property
Pc	511.87	kPa	Joback Calculated Property
Inp	[3660.65; 3660.65]
Inp	3660.65		NIST
Inp	3660.65		NIST
Tboil	705.92	K	Relay (1.0) Calculated Property
Tc	889.66	K	Relay (1.0) Calculated Property
Tfus	293.47	K	Relay (1.0) Calculated Property
Vc	1.827	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1844.08; 2031.78]	J/mol×K	[1116.01; 1420.29]
Cp,gas	1844.08	J/mol×K	1116.01	Joback Calculated Property
Cp,gas	1877.03	J/mol×K	1166.72	Joback Calculated Property
Cp,gas	1908.75	J/mol×K	1217.44	Joback Calculated Property
Cp,gas	1939.65	J/mol×K	1268.15	Joback Calculated Property
Cp,gas	1970.18	J/mol×K	1318.87	Joback Calculated Property
Cp,gas	2000.75	J/mol×K	1369.58	Joback Calculated Property
Cp,gas	2031.78	J/mol×K	1420.29	Joback Calculated Property
η	[0.0000039; 0.0001575]	Pa×s	[547.32; 1116.01]
η	0.0001575	Pa×s	547.32	Joback Calculated Property
η	0.0000539	Pa×s	642.10	Joback Calculated Property
η	0.0000243	Pa×s	736.88	Joback Calculated Property
η	0.0000132	Pa×s	831.66	Joback Calculated Property
η	0.0000081	Pa×s	926.45	Joback Calculated Property
η	0.0000054	Pa×s	1021.23	Joback Calculated Property
η	0.0000039	Pa×s	1116.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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