Chemical Properties of 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- (CAS 301-00-8)

InChI

InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

InChI Key

DVWSXZIHSUZZKJ-YSTUJMKBSA-N

Formula

C19H32O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OC

Molecular Weight¹

292.46

CAS

301-00-8

Other Names

• (Z,Z,Z)-9,12,15-Octadecatrienoic acid, methyl ester
• Methyl all-cis-9,12,15-octadecatrienoate
• Methyl linolenate, «alpha»
• Methyl «alpha»-linolenate
• [Z,Z,Z]-9,12,15-Octadecadienoic acid methyl ester
• cis,cis,cis-9,12,15-Octadecatrienoic acid, methyl ester
• linolenic acid, methyl ester
• methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
• methyl (Z,Z,Z)-9,12,15-octadecatrienoate
• methyl linolenate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7285		ChemSep v8.3 pure component data Compiled value
ΔcH°liquid	-11506.00 ± 1.50	kJ/mol	NIST
ΔfG°	-18.25	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-401.11	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°liquid	-492.75	kJ/mol	NIST
ΔfusH°	49.94	kJ/mol	Joback Calculated Property
ΔvapH°	[102.10; 110.50]	kJ/mol
ΔvapH°	110.50 ± 0.50	kJ/mol	NIST
ΔvapH°	102.10	kJ/mol	NIST
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.749		Crippen Calculated Property
McVol	273.110	ml/mol	McGowan Calculated Property
Pc	1189.01	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[2047.00; 2125.00]
Inp	2071.80		NIST
Inp	2078.00		NIST
Inp	2092.00		NIST
Inp	2079.00		NIST
Inp	2058.00		NIST
Inp	2108.00		NIST
Inp	2105.40		NIST
Inp	2077.00		NIST
Inp	2101.00		NIST
Inp	2098.00		NIST
Inp	2073.00		NIST
Inp	2069.00		NIST
Inp	2084.00		NIST
Inp	2078.00		NIST
Inp	2081.00		NIST
Inp	2089.00		NIST
Inp	2076.00		NIST
Inp	2073.00		NIST
Inp	2113.00		NIST
Inp	2100.00		NIST
Inp	Outlier 2125.00		NIST
Inp	2098.00		NIST
Inp	2096.00		NIST
Inp	2081.00		NIST
Inp	2099.00		NIST
Inp	2096.00		NIST
Inp	2073.00		NIST
Inp	2098.00		NIST
Inp	2082.00		NIST
Inp	2099.00		NIST
Inp	2098.00		NIST
Inp	2078.00		NIST
Inp	2078.00		NIST
Inp	2108.00		NIST
Inp	2098.00		NIST
Inp	Outlier 2047.00		NIST
Inp	2081.00		NIST
Inp	2098.00		NIST
Inp	2095.00		NIST
Inp	2080.00		NIST
Inp	2058.00		NIST
Ip	[2508.00; 2590.00]
Ip	2590.00		NIST
Ip	Outlier 2508.00		NIST
Ip	2583.00		NIST
Ip	2583.00		NIST
Ip	2550.00		NIST
Ip	2558.00		NIST
Ip	2590.00		NIST
Tboil	604.72	K	ChemSep v8.3 pure component data Compiled value
Tc	772.86	K	ChemSep v8.3 pure component data Compiled value
Tfus	275.26	K	Relay (1.0) Calculated Property
UQi	10.58		ChemSep v8.3 pure component data Compiled value
URi	12.90		ChemSep v8.3 pure component data Compiled value
Vc	1.073	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.1986190		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0012527; 0.0063612]	Pa×s	[278.15; 373.15]
η	0.0063612	Pa×s	278.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0056183	Pa×s	283.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0050032	Pa×s	288.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0044844	Pa×s	293.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0040220	Pa×s	293.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0040429	Pa×s	298.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0036665	Pa×s	303.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0033010	Pa×s	303.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0033405	Pa×s	308.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0029253	Pa×s	313.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0027900	Pa×s	313.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0026750	Pa×s	318.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0024725	Pa×s	323.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0022990	Pa×s	323.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0023030	Pa×s	328.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0021234	Pa×s	333.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0018620	Pa×s	333.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0019659	Pa×s	338.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0018165	Pa×s	343.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0015960	Pa×s	343.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
η	0.0016878	Pa×s	348.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0015827	Pa×s	353.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0014877	Pa×s	358.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0014021	Pa×s	363.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0013272	Pa×s	368.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
η	0.0012527	Pa×s	373.15	Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
ΔvapH	[87.70; 110.50]	kJ/mol	[298.15; 426.50]
ΔvapH	110.50	kJ/mol	298.15	the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
ΔvapH	87.70	kJ/mol	426.50	NIST
csound,fluid	[1272.00; 1485.00]	m/s	[278.15; 338.15]
csound,fluid	1485.00	m/s	278.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1448.00	m/s	288.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1411.00	m/s	298.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1375.00	m/s	308.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1340.00	m/s	318.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1306.00	m/s	328.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
csound,fluid	1272.00	m/s	338.15	Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.73; 1026.06]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.78185e+02
Coefficient B			-5.00000e+02
Coefficient C			7.07606e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	344.73	J/mol×K	255.00	Calculated Property
Cp,gas	510.10	J/mol×K	393.33	Calculated Property
Cp,gas	640.21	J/mol×K	531.67	Calculated Property
Cp,gas	739.23	J/mol×K	670.00	Calculated Property
Cp,gas	815.66	J/mol×K	808.33	Calculated Property
Cp,gas	875.96	J/mol×K	946.67	Calculated Property
Cp,gas	924.57	J/mol×K	1085.00	Calculated Property
Cp,gas	964.49	J/mol×K	1223.33	Calculated Property
Cp,gas	997.83	J/mol×K	1361.67	Calculated Property
Cp,gas	1026.06	J/mol×K	1500.00	Calculated Property

Similar Compounds

Find more compounds similar to 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-.

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• the vaporization enthaplies and vapor pressures of a series of unstaurated fatty acid methyl esters by correlation gas chromatography
• Densities and Viscosities of Minority Fatty Acid Methyl and Ethyl Esters Present in Biodiesel
• Group Contribution Model for Predicting Viscosity of Fatty Compounds
• Density and Speed of Sound Measurements on Five Fatty Acid Methyl Esters at 83 kPa and Temperatures from (278.15 to 338.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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