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

InChI

InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10+,13-11-,18-17-,21-20-,26-24-

InChI Key

WMEYKOAPDBHGDW-NXIMTCEVSA-N

Formula

C34H58O2

SMILES

CCCCC=CCCCCCCCCOC(=O)CCCC=CCC=CCC=CCC=CCCCCC

Molecular Weight¹

498.82

• 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	1.0747		Relay (1.0) Calculated Property
ΔfG°	402.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	87.61	kJ/mol	Joback Calculated Property
ΔvapH°	151.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-9.21		Relay (1.0) Calculated Property
logPoct/wat	11.152		Crippen Calculated Property
McVol	475.860	ml/mol	McGowan Calculated Property
Pc	573.43	kPa	Joback Calculated Property
Inp	[3452.29; 3452.29]
Inp	3452.29		NIST
Inp	3452.29		NIST
Tboil	696.41	K	Relay (1.0) Calculated Property
Tc	877.14	K	Relay (1.0) Calculated Property
Tfus	278.20	K	Relay (1.0) Calculated Property
Vc	1.659	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1678.95; 1845.41]	J/mol×K	[1074.41; 1341.62]
Cp,gas	1678.95	J/mol×K	1074.41	Joback Calculated Property
Cp,gas	1707.81	J/mol×K	1118.95	Joback Calculated Property
Cp,gas	1735.82	J/mol×K	1163.48	Joback Calculated Property
Cp,gas	1763.29	J/mol×K	1208.02	Joback Calculated Property
Cp,gas	1790.51	J/mol×K	1252.55	Joback Calculated Property
Cp,gas	1817.78	J/mol×K	1297.09	Joback Calculated Property
Cp,gas	1845.41	J/mol×K	1341.62	Joback Calculated Property
η	[0.0000047; 0.0001984]	Pa×s	[519.70; 1074.41]
η	0.0001984	Pa×s	519.70	Joback Calculated Property
η	0.0000665	Pa×s	612.15	Joback Calculated Property
η	0.0000297	Pa×s	704.60	Joback Calculated Property
η	0.0000160	Pa×s	797.05	Joback Calculated Property
η	0.0000098	Pa×s	889.51	Joback Calculated Property
η	0.0000066	Pa×s	981.96	Joback Calculated Property
η	0.0000047	Pa×s	1074.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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