Chemical Properties of Ethyl 9,12,15-octadecatrienoate

InChI

InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-

InChI Key

JYYFMIOPGOFNPK-AGRJPVHOSA-N

Formula

C20H34O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCC

Molecular Weight¹

306.48

Other Names

• 9,12,14-octadecatrienoic acid, ethyl ester
• 9,12,15-Octadecatrienoic acid, ethyl ester
• Ethyl 9«alpha»-linolenate
• ethyl linolenate
• linolinic acid, ethyl ester

• ω : Acentric Factor.
• 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.
• I : 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	0.7185		Relay (1.0) Calculated Property
ΔfH°gas	-585.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.95	kJ/mol	Joback Calculated Property
ΔvapH°	101.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	6.139		Crippen Calculated Property
McVol	287.200	ml/mol	McGowan Calculated Property
Pc	1160.08	kPa	Joback Calculated Property
Inp	[2135.00; 2170.00]
Inp	2135.00		NIST
Inp	2148.00		NIST
Inp	2170.00		NIST
Inp	2153.00		NIST
Inp	2153.00		NIST
I	[2545.00; 2594.00]
I	2594.00		NIST
I	2545.00		NIST
Tboil	592.09	K	Relay (1.0) Calculated Property
Tc	766.92	K	Relay (1.0) Calculated Property
Tfus	268.57	K	Relay (1.0) Calculated Property
Vc	1.013	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.59; 935.36]	J/mol×K	[745.77; 927.85]
Cp,gas	838.59	J/mol×K	745.77	Joback Calculated Property
Cp,gas	856.73	J/mol×K	776.12	Joback Calculated Property
Cp,gas	874.01	J/mol×K	806.46	Joback Calculated Property
Cp,gas	890.45	J/mol×K	836.81	Joback Calculated Property
Cp,gas	906.13	J/mol×K	867.15	Joback Calculated Property
Cp,gas	921.08	J/mol×K	897.50	Joback Calculated Property
Cp,gas	935.36	J/mol×K	927.85	Joback Calculated Property
η	[0.0012950; 0.0062820]	Pa×s	[278.15; 373.15]
η	0.0062820	Pa×s	278.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0055379	Pa×s	283.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0049210	Pa×s	288.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0044014	Pa×s	293.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0039606	Pa×s	298.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0035831	Pa×s	303.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0032578	Pa×s	308.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0029750	Pa×s	313.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0027281	Pa×s	318.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0025114	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0023204	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0021511	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0020004	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0018658	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0017450	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0016362	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0015382	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0014491	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0013684	Pa×s	368.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0012950	Pa×s	373.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel

Similar Compounds

Find more compounds similar to Ethyl 9,12,15-octadecatrienoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
• Joback Method
• McGowan Method
• NIST Webbook

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