Chemical Properties of 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- (CAS 463-40-1)

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

InChI Key

DTOSIQBPPRVQHS-PDBXOOCHSA-N

Formula

C18H30O2

SMILES

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

Molecular Weight¹

278.43

CAS

463-40-1

Other Names

• (Z,Z,Z)-9,12,15-Octadecatrienoic acid
• .alpha.-linolenic acid
• ALPHA-LINOLENIC ACID
• Industrene 120
• all-cis-9,12,15-octadecatrienoic acid
• cis,cis,cis-9,12,15-Octadecatrienoic acid
• linolenic acid
• «alpha»-Linolenic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• ν : Kinematic viscosity (m²/s).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi 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	1.1870		ChemSep v8.3 pure component data
μ	1.56	debye	ChemSep v8.3 pure component data
ΔfG°	-4.93	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-413.90	kJ/mol	ChemSep v8.3 pure component data
ΔfH°liquid	-508.80	kJ/mol	NIST
ΔfusH°	53.12	kJ/mol	Joback Calculated Property
ΔvapH°	125.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	5.661		Crippen Calculated Property
McVol	259.020	ml/mol	McGowan Calculated Property
Pc	1440.00	kPa	ChemSep v8.3 pure component data
Ptriple	1.02e-10	kPa	ChemSep v8.3 pure component data
Inp	[2099.00; 2162.00]
Inp	2143.00		NIST
Inp	2158.90		NIST
Inp	2154.00		NIST
Inp	2134.00		NIST
Inp	2143.00		NIST
Inp	2122.00		NIST
Inp	2159.00		NIST
Inp	2102.00		NIST
Inp	2107.00		NIST
Inp	2116.00		NIST
Inp	2116.00		NIST
Inp	2115.00		NIST
Inp	2113.00		NIST
Inp	2099.00		NIST
Inp	2162.00		NIST
Inp	2120.00		NIST
Inp	2143.00		NIST
I	[3250.00; 3300.00]
I	3292.00		NIST
I	3250.00		NIST
I	3292.00		NIST
I	3300.00		NIST
I	3292.00		NIST
I	3250.00		NIST
Tboil	632.00	K	ChemSep v8.3 pure component data
Tc	812.15	K	ChemSep v8.3 pure component data
Tfus	262.65	K	ChemSep v8.3 pure component data
Ttriple	262.05	K	ChemSep v8.3 pure component data
UQi	10.07		ChemSep v8.3 pure component data
Vc	0.982	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2380000		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	136.90	kJ/mol	298.00	Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
ν	[0.0000051; 0.0000155]	m2/s	[293.15; 343.15]
ν	0.0000155	m2/s	293.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
ν	0.0000124	m2/s	303.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
ν	0.0000089	m2/s	313.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
ν	0.0000073	m2/s	323.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
ν	0.0000060	m2/s	333.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds
ν	0.0000051	m2/s	343.15	Group Contribution Model for Predicting Viscosity of Fatty Compounds

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	504.20	K	0.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.48; 928.36]	J/mol×K	[300.00; 1200.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.62040e+02
Coefficient B			8.76040e+02
Coefficient C			1.57720e+03
Coefficient D			6.30880e+02
Coefficient E			7.10820e+02
Comment			ChemSep eq 107, IdealGasHeatCapacityCp
Temperature range, min.			300.00
Temperature range, max.			1200.00
Cp,gas	386.48	J/mol×K	300.00	Calculated Property
Cp,gas	498.01	J/mol×K	400.00	Calculated Property
Cp,gas	590.95	J/mol×K	500.00	Calculated Property
Cp,gas	666.53	J/mol×K	600.00	Calculated Property
Cp,gas	729.66	J/mol×K	700.00	Calculated Property
Cp,gas	783.20	J/mol×K	800.00	Calculated Property
Cp,gas	828.77	J/mol×K	900.00	Calculated Property
Cp,gas	867.51	J/mol×K	1000.00	Calculated Property
Cp,gas	900.41	J/mol×K	1100.00	Calculated Property
Cp,gas	928.36	J/mol×K	1200.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[586.54; 795.91]	J/mol×K	[390.00; 585.00]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.67800e+02
Coefficient B			1.07370e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.			390.00
Temperature range, max.			585.00
Cp,liquid	586.54	J/mol×K	390.00	Calculated Property
Cp,liquid	609.81	J/mol×K	411.67	Calculated Property
Cp,liquid	633.07	J/mol×K	433.33	Calculated Property
Cp,liquid	656.33	J/mol×K	455.00	Calculated Property
Cp,liquid	679.60	J/mol×K	476.67	Calculated Property
Cp,liquid	702.86	J/mol×K	498.33	Calculated Property
Cp,liquid	726.12	J/mol×K	520.00	Calculated Property
Cp,liquid	749.39	J/mol×K	541.67	Calculated Property
Cp,liquid	772.65	J/mol×K	563.33	Calculated Property
Cp,liquid	795.91	J/mol×K	585.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0517327; 0.0012063]	Pa×s	[262.05; 450.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.39860e+01
Coefficient B			3.94120e+03
Coefficient C			4.66630e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			262.05
Temperature range, max.			450.00
η	0.0517327	Pa×s	262.05	Calculated Property
η	0.0243806	Pa×s	282.93	Calculated Property
η	0.0130476	Pa×s	303.82	Calculated Property
η	0.0077252	Pa×s	324.70	Calculated Property
η	0.0049622	Pa×s	345.58	Calculated Property
η	0.0034067	Pa×s	366.47	Calculated Property
η	0.0024708	Pa×s	387.35	Calculated Property
η	0.0018759	Pa×s	408.23	Calculated Property
η	0.0014800	Pa×s	429.12	Calculated Property
η	0.0012063	Pa×s	450.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[116.81; 36.94]	kJ/mol	[262.05; 780.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.36800e+02
Coefficient B			4.05400e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.12150e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			262.05
Temperature range, max.			780.00
ΔvapH	116.81	kJ/mol	262.05	Calculated Property
ΔvapH	111.70	kJ/mol	319.60	Calculated Property
ΔvapH	106.21	kJ/mol	377.15	Calculated Property
ΔvapH	100.27	kJ/mol	434.70	Calculated Property
ΔvapH	93.77	kJ/mol	492.25	Calculated Property
ΔvapH	86.52	kJ/mol	549.80	Calculated Property
ΔvapH	78.26	kJ/mol	607.35	Calculated Property
ΔvapH	68.46	kJ/mol	664.90	Calculated Property
ΔvapH	56.00	kJ/mol	722.45	Calculated Property
ΔvapH	36.94	kJ/mol	780.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.02e-10; 1444.08]	kPa	[262.05; 780.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.41292e+02
Coefficient B			-1.88210e+04
Coefficient C			-1.66070e+01
Coefficient D			3.12330e-18
Coefficient E			6.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			262.05
Temperature range, max.			780.00
Pvap	1.02e-10	kPa	262.05	Calculated Property
Pvap	1.57e-06	kPa	319.60	Calculated Property
Pvap	8.04e-04	kPa	377.15	Calculated Property
Pvap	0.06	kPa	434.70	Calculated Property
Pvap	1.17	kPa	492.25	Calculated Property
Pvap	10.63	kPa	549.80	Calculated Property
Pvap	55.94	kPa	607.35	Calculated Property
Pvap	203.60	kPa	664.90	Calculated Property
Pvap	582.11	kPa	722.45	Calculated Property
Pvap	1444.08	kPa	780.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[936.61; 260.51]	kg/m3	[262.05; 780.00]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.18226e+01
Coefficient B			2.37310e-01
Coefficient C			7.80000e+02
Coefficient D			2.85700e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			262.05
Temperature range, max.			780.00
ρl	936.61	kg/m3	262.05	Calculated Property
ρl	897.78	kg/m3	319.60	Calculated Property
ρl	857.15	kg/m3	377.15	Calculated Property
ρl	814.27	kg/m3	434.70	Calculated Property
ρl	768.51	kg/m3	492.25	Calculated Property
ρl	718.84	kg/m3	549.80	Calculated Property
ρl	663.52	kg/m3	607.35	Calculated Property
ρl	599.02	kg/m3	664.90	Calculated Property
ρl	515.79	kg/m3	722.45	Calculated Property
ρl	260.51	kg/m3	780.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.00]	N/m	[262.05; 780.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			5.71530e-02
Coefficient B			1.22350e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.12150e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			262.05
Temperature range, max.			780.00
γ	0.04	N/m	262.05	Calculated Property
γ	0.03	N/m	319.60	Calculated Property
γ	0.03	N/m	377.15	Calculated Property
γ	0.02	N/m	434.70	Calculated Property
γ	0.02	N/m	492.25	Calculated Property
γ	0.01	N/m	549.80	Calculated Property
γ	0.01	N/m	607.35	Calculated Property
γ	0.01	N/m	664.90	Calculated Property
γ	0.00	N/m	722.45	Calculated Property
γ	0.00	N/m	780.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.02; 0.05]	W/m×K	[632.00; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			1.24260e-04
Coefficient B			9.45900e-01
Coefficient C			8.04370e+02
Coefficient D			0.00000e+00
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			632.00
Temperature range, max.			1000.00
λ	0.02	W/m×K	632.00	Calculated Property
λ	0.03	W/m×K	672.89	Calculated Property
λ	0.03	W/m×K	713.78	Calculated Property
λ	0.03	W/m×K	754.67	Calculated Property
λ	0.03	W/m×K	795.56	Calculated Property
λ	0.04	W/m×K	836.44	Calculated Property
λ	0.04	W/m×K	877.33	Calculated Property
λ	0.04	W/m×K	918.22	Calculated Property
λ	0.04	W/m×K	959.11	Calculated Property
λ	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.17; 0.08]	W/m×K	[262.05; 733.15]	ChemSep v8.3 pure component data
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			2.12000e-01
Coefficient B			-1.76100e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidThermalConductivity
Temperature range, min.			262.05
Temperature range, max.			733.15
λ	0.17	W/m×K	262.05	Calculated Property
λ	0.16	W/m×K	314.39	Calculated Property
λ	0.15	W/m×K	366.74	Calculated Property
λ	0.14	W/m×K	419.08	Calculated Property
λ	0.13	W/m×K	471.43	Calculated Property
λ	0.12	W/m×K	523.77	Calculated Property
λ	0.11	W/m×K	576.12	Calculated Property
λ	0.10	W/m×K	628.46	Calculated Property
λ	0.09	W/m×K	680.81	Calculated Property
λ	0.08	W/m×K	733.15	Calculated Property

Similar Compounds

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

Mixtures

• n-Hexane + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Heptane
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Pentane, 2,2,4-trimethyl-
• 1-Hexene + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• Toluene + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Cyclohexane
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Methyl Alcohol
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethanol
• 1-Propanol + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• 2-Propanol + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• Trichloromethane + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethane, 1,2-dichloro-
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethyl Acetate
• 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Acetone
• Carbon dioxide + 9,12,15-Octadecatrienoic acid, (Z,Z,Z)- + Ethanol

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
• Phase equilibrium measurements of ternary systems formed by linoleic and linolenic acids in carbon dioxide/ethanol mixtures
• Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds Part II: C18 fatty acids
• Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
• Group Contribution Model for Predicting Viscosity of Fatty Compounds
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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