Linoleic acid ethyl ester (CAS 544-35-4)

InChI

InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-

InChI Key

FMMOOAYVCKXGMF-MURFETPASA-N

Formula

C20H36O2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OCC

Molecular Weight¹

308.50

CAS

544-35-4

Other Names

(Z,Z)-9,12-octadecadienoic acid, ethyl ester
9,12-Octadecadienoic acid (Z,Z)-, ethyl ester
Ethyl cis,cis-9,12-octadecadienoate
Ethyl linolate
Mandenol
ethyl (Z,Z)-9,12-octadecadienoate
ethyl (Z,Z)-9,12-octadecadienoate
ethyl linoleate
linoleic acid, ethyl ester

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).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
P_vap : Vapor 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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7972		Relay (1.0) Calculated Property
Δ_fG°	44.04	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-646.45	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	50.75	kJ/mol	Joback Calculated Property
Δ_vapH°	100.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log₁₀WS	-6.04		Relay (1.0) Calculated Property
logP_oct/wat	6.363		Crippen Calculated Property
McVol	291.500	ml/mol	McGowan Calculated Property
P_c	1120.05	kPa	Joback Calculated Property
I_np	[2139.00; 2193.00]
I_np	2139.00		NIST
I_np	2155.00		NIST
I_np	2159.00		NIST
I_np	2177.00		NIST
I_np	2159.00		NIST
I_np	2162.00		NIST
I_np	2145.00		NIST
I_np	2151.00		NIST
I_np	2141.00		NIST
I_np	2141.00		NIST
I_np	2139.00		NIST
I_np	2162.90		NIST
I_np	Outlier 2193.00		NIST
I_np	2140.00		NIST
I_np	2155.00		NIST
I_np	2159.00		NIST
I_np	2152.00		NIST
I_np	2165.00		NIST
I_np	2164.00		NIST
I_np	2144.00		NIST
I_np	2177.00		NIST
I_np	2156.00		NIST
I_np	2155.00		NIST
I_np	2151.00		NIST
I_np	2169.00		NIST
I_np	2162.00		NIST
I_np	2166.00		NIST
I_np	2171.00		NIST
I_np	2140.00		NIST
I_np	2162.00		NIST
I_np	2162.00		NIST
I_np	2162.00		NIST
I	[2486.00; 2553.00]
I	2519.00		NIST
I	2524.00		NIST
I	2553.00		NIST
I	2553.00		NIST
I	2514.00		NIST
I	2491.00		NIST
I	2488.00		NIST
I	2491.00		NIST
I	2530.00		NIST
I	2530.00		NIST
I	2510.00		NIST
I	2532.00		NIST
I	2528.00		NIST
I	2520.00		NIST
I	2521.00		NIST
I	2505.00		NIST
I	2536.00		NIST
I	2534.00		NIST
I	2515.00		NIST
I	2511.00		NIST
I	2530.00		NIST
I	2538.00		NIST
I	2486.00		NIST
I	2510.00		NIST
T_boil	594.05	K	Relay (1.0) Calculated Property
T_c	768.97	K	Relay (1.0) Calculated Property
T_fus	268.30	K	Relay (1.0) Calculated Property
V_c	1.067	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[862.13; 961.38]	J/mol×K	[741.61; 919.70]

C_p,gas	862.13	J/mol×K	741.61	Joback Calculated Property
C_p,gas	880.77	J/mol×K	771.29	Joback Calculated Property
C_p,gas	898.51	J/mol×K	800.97	Joback Calculated Property
C_p,gas	915.41	J/mol×K	830.65	Joback Calculated Property
C_p,gas	931.49	J/mol×K	860.34	Joback Calculated Property
C_p,gas	946.80	J/mol×K	890.02	Joback Calculated Property
C_p,gas	961.38	J/mol×K	919.70	Joback Calculated Property
η	[0.0015685; 0.0081875]	Pa×s	[278.15; 363.15]

η	0.0081875	Pa×s	278.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0070842	Pa×s	283.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0061652	Pa×s	288.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0054231	Pa×s	293.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0048073	Pa×s	298.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0043074	Pa×s	303.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0038539	Pa×s	308.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0034060	Pa×s	313.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0031608	Pa×s	318.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0028291	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0026411	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0024287	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0022414	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0020753	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0019270	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0017727	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0016757	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0015685	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
Δ_vapH	72.60	kJ/mol	472.50	NIST
P_vap	[1.33; 9.33]	kPa	[486.64; 537.69]

P_vap	1.33	kPa	486.64	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	2.67	kPa	501.94	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	4.00	kPa	510.65	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	5.33	kPa	515.70	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	6.67	kPa	520.91	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	8.00	kPa	527.47	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	9.33	kPa	537.39	Determination of the vapor pressure of ethyl esters by Differential Scanning Calorimetry
P_vap	9.33	kPa	537.69	Vapor liquid equilibrium of fatty acid ethyl esters determined using DSC

Similar Compounds

9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-.

5,8,11,14-Eicosatetraenoic acid, ethyl ester.

Find more compounds similar to Linoleic acid ethyl ester.

Mixtures

Hexadecanoic acid, ethyl ester + Linoleic acid ethyl ester

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

Chemical Properties of Linoleic acid ethyl ester (CAS 544-35-4)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources