Chemical Properties of 8,11,14-Eicosatrienoic acid, (Z,Z,Z)-

InChI

InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+

InChI Key

HOBAELRKJCKHQD-YHTMAJSVSA-N

Formula

C20H34O2

SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O

Molecular Weight¹

306.49

Other Names

• cis-8,11,14-Eicosatrienoic Acid
• Dihomo-«gamma»-linolenic acid
• (Z,Z,Z)-icosatri-8,11,14-enoic acid

• 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	0.9163		Relay (1.0) Calculated Property
ΔfG°	14.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.30	kJ/mol	Joback Calculated Property
ΔvapH°	137.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	6.441		Crippen Calculated Property
McVol	287.200	ml/mol	McGowan Calculated Property
Pc	1194.82	kPa	Joback Calculated Property
Inp	[2345.90; 2345.90]
Inp	2345.90		NIST
Inp	2345.90		NIST
Tboil	615.43	K	Relay (1.0) Calculated Property
Tc	822.76	K	Relay (1.0) Calculated Property
Tfus	311.79	K	Relay (1.0) Calculated Property
Vc	1.000	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.37; 970.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.32380e+01
Coefficient B			2.01462e+00
Coefficient C			-1.38820e-03
Coefficient D			3.97000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.37	J/mol×K	273.00	Calculated Property
Cp,gas	503.32	J/mol×K	353.78	Calculated Property
Cp,gas	592.66	J/mol×K	434.56	Calculated Property
Cp,gas	670.63	J/mol×K	515.33	Calculated Property
Cp,gas	738.50	J/mol×K	596.11	Calculated Property
Cp,gas	797.52	J/mol×K	676.89	Calculated Property
Cp,gas	848.94	J/mol×K	757.67	Calculated Property
Cp,gas	894.02	J/mol×K	838.44	Calculated Property
Cp,gas	934.01	J/mol×K	919.22	Calculated Property
Cp,gas	970.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006520; 0.0000740]	Pa×s	[460.52; 704.86]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.36138e+01
Coefficient B			2.89130e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			460.52
Temperature range, max.			704.86
η	0.0006520	Pa×s	460.52	Calculated Property
η	0.0004597	Pa×s	487.67	Calculated Property
η	0.0003362	Pa×s	514.82	Calculated Property
η	0.0002538	Pa×s	541.97	Calculated Property
η	0.0001968	Pa×s	569.12	Calculated Property
η	0.0001561	Pa×s	596.27	Calculated Property
η	0.0001264	Pa×s	623.42	Calculated Property
η	0.0001042	Pa×s	650.57	Calculated Property
η	0.0000872	Pa×s	677.72	Calculated Property
η	0.0000740	Pa×s	704.86	Calculated Property

Similar Compounds

Find more compounds similar to 8,11,14-Eicosatrienoic acid, (Z,Z,Z)-.

Sources

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

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