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

InChI

InChI=1S/C32H56O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32(33)34-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24H,3-10,12,14-15,18,21,23,25-31H2,1-2H3/b13-11-,17-16-,20-19-,24-22-

InChI Key

MOONYEZKXDVAMG-XZPUNJMMSA-N

Formula

C32H56O2

SMILES

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

472.79

• 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	1.0790		Relay (1.0) Calculated Property
ΔfG°	305.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	82.23	kJ/mol	Joback Calculated Property
ΔvapH°	144.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-9.05		Relay (1.0) Calculated Property
logPoct/wat	10.596		Crippen Calculated Property
McVol	451.980	ml/mol	McGowan Calculated Property
Pc	613.90	kPa	Joback Calculated Property
Inp	[3259.96; 3259.96]
Inp	3259.96		NIST
Inp	3259.96		NIST
Tboil	679.96	K	Relay (1.0) Calculated Property
Tc	864.94	K	Relay (1.0) Calculated Property
Tfus	285.59	K	Relay (1.0) Calculated Property
Vc	1.609	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1571.68; 1715.27]	J/mol×K	[1024.49; 1270.00]
Cp,gas	1571.68	J/mol×K	1024.49	Joback Calculated Property
Cp,gas	1597.77	J/mol×K	1065.41	Joback Calculated Property
Cp,gas	1622.73	J/mol×K	1106.33	Joback Calculated Property
Cp,gas	1646.75	J/mol×K	1147.24	Joback Calculated Property
Cp,gas	1670.05	J/mol×K	1188.16	Joback Calculated Property
Cp,gas	1692.82	J/mol×K	1229.08	Joback Calculated Property
Cp,gas	1715.27	J/mol×K	1270.00	Joback Calculated Property
η	[0.0000073; 0.0002828]	Pa×s	[502.24; 1024.49]
η	0.0002828	Pa×s	502.24	Joback Calculated Property
η	0.0000982	Pa×s	589.28	Joback Calculated Property
η	0.0000448	Pa×s	676.32	Joback Calculated Property
η	0.0000244	Pa×s	763.37	Joback Calculated Property
η	0.0000151	Pa×s	850.41	Joback Calculated Property
η	0.0000102	Pa×s	937.45	Joback Calculated Property
η	0.0000073	Pa×s	1024.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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