Chemical Properties of 1-Eicosanol (CAS 629-96-9)

InChI

InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

InChI Key

BTFJIXJJCSYFAL-UHFFFAOYSA-N

Formula

C20H42O

SMILES

CCCCCCCCCCCCCCCCCCCCO

Molecular Weight¹

298.55

CAS

629-96-9

Other Names

• 1-PRYDROXYEICOSANE
• 1-icosanol
• Arachidyl alcohol
• Eicosan-1-ol
• Eicosanol-(1)
• N-EICOSYL ALCOHOL
• NSC 120887
• arachic alcohol
• arachidic alcohol
• eicosanol
• eicosyl alcohol
• icosan-1-ol
• n-1-Eicosanol
• n-Eicosanol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_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_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.
• 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	0.8789		ChemSep v8.3 pure component data Compiled value
ΔcH°liquid	-13130.00 ± 10.00	kJ/mol	NIST
μ	1.83	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[-19.43; -15.94]	kJ/mol
ΔfG°	-15.94	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	-19.43	kJ/mol	KDB
ΔfH°gas	[-608.10; -605.20]	kJ/mol
ΔfH°gas	-605.20	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-608.10	kJ/mol	KDB
ΔfusH°	51.64	kJ/mol	Joback Calculated Property
ΔsubH°	[218.00; 223.00]	kJ/mol
ΔsubH°	218.00 ± 4.00	kJ/mol	NIST
ΔsubH°	223.00 ± 3.80	kJ/mol	NIST
ΔvapH°	125.90 ± 0.80	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	7.020		Crippen Calculated Property
McVol	298.530	ml/mol	McGowan Calculated Property
Pc	[1070.00; 1300.00]	kPa
Pc	1070.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	1300.00	kPa	KDB
Ptriple	1.25e-05	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[371.04; 2296.00]
Inp	2276.40		NIST
Inp	2275.00		NIST
Inp	2276.00		NIST
Inp	2273.00		NIST
Inp	2292.00		NIST
Inp	2252.00		NIST
Inp	2271.00		NIST
Inp	2281.00		NIST
Inp	2290.00		NIST
Inp	2252.00		NIST
Inp	2278.00		NIST
Inp	2267.00		NIST
Inp	2252.00		NIST
Inp	2296.00		NIST
Inp	2282.00		NIST
Inp	Outlier 371.04		NIST
Inp	Outlier 374.80		NIST
Inp	Outlier 374.56		NIST
Inp	2273.00		NIST
I	[2717.00; 2755.00]
I	2755.00		NIST
I	2717.00		NIST
I	2755.00		NIST
I	2717.00		NIST
Tboil	[629.00; 646.00]	K
Tboil	646.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	629.00	K	KDB
Tc	[808.23; 809.00]	K
Tc	808.23	K	ChemSep v8.3 pure component data Compiled value
Tc	809.00	K	KDB
Tfus	[336.90; 344.70]	K
Tfus	337.67	K	Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
Tfus	336.90	K	Solid-liquid equilibria of eicosane, tetracosane or biphenyl + 1- octadecanol, or + 1-eicosanol mixtures
Tfus	337.00	K	Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
Tfus	338.15	K	ChemSep v8.3 pure component data Compiled value
Tfus	339.20	K	KDB
Tfus	338.00 ± 0.25	K	NIST
Tfus	338.30 ± 0.80	K	NIST
Tfus	339.20 ± 2.00	K	NIST
Tfus	Outlier 344.70 ± 2.00	K	NIST
Tfus	338.50 ± 1.50	K	NIST
Ttriple	338.15	K	ChemSep v8.3 pure component data Compiled value
UQi	12.31		ChemSep v8.3 pure component data Compiled value
URi	14.71		ChemSep v8.3 pure component data Compiled value
Vc	1.156	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2380000		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[43.60; 73.72]	kJ/mol	[336.60; 338.20]
ΔfusH	43.60	kJ/mol	336.60	NIST
ΔfusH	43.60	kJ/mol	336.60	NIST
ΔfusH	73.72	kJ/mol	338.20	NIST
ΔsubH	218.00 ± 3.80	kJ/mol	334.00	NIST
ΔvapH	[83.40; 118.90]	kJ/mol	[348.50; 570.50]
ΔvapH	118.90	kJ/mol	348.50	NIST
ΔvapH	83.50	kJ/mol	570.50	NIST
ΔvapH	83.40	kJ/mol	570.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[470.60; 1182.61]	J/mol×K	[298.15; 1500.00]	ChemSep v8.3 pure component data Compiled value
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			3.19600e+02
Coefficient B			9.99000e+02
Coefficient C			1.38010e+03
Coefficient D			6.38000e+02
Coefficient E			6.66000e+02
Comment			ChemSep eq 107, IdealGasHeatCapacityCp
Temperature range, min.			298.15
Temperature range, max.			1500.00
Cp,gas	470.60	J/mol×K	298.15	Calculated Property
Cp,gas	641.98	J/mol×K	431.69	Calculated Property
Cp,gas	782.84	J/mol×K	565.23	Calculated Property
Cp,gas	892.78	J/mol×K	698.77	Calculated Property
Cp,gas	977.18	J/mol×K	832.31	Calculated Property
Cp,gas	1041.62	J/mol×K	965.84	Calculated Property
Cp,gas	1090.99	J/mol×K	1099.38	Calculated Property
Cp,gas	1129.15	J/mol×K	1232.92	Calculated Property
Cp,gas	1158.99	J/mol×K	1366.46	Calculated Property
Cp,gas	1182.61	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[781.28; 1040.11]	J/mol×K	[338.55; 645.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-1.16230e+03
Coefficient B			1.23300e+01
Coefficient C			-2.56910e-02
Coefficient D			1.83970e-05
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidHeatCapacityCp
Temperature range, min.			338.55
Temperature range, max.			645.50
Cp,liquid	781.28	J/mol×K	338.55	Calculated Property
Cp,liquid	816.85	J/mol×K	372.66	Calculated Property
Cp,liquid	840.50	J/mol×K	406.76	Calculated Property
Cp,liquid	856.60	J/mol×K	440.87	Calculated Property
Cp,liquid	869.55	J/mol×K	474.97	Calculated Property
Cp,liquid	883.71	J/mol×K	509.08	Calculated Property
Cp,liquid	903.47	J/mol×K	543.18	Calculated Property
Cp,liquid	933.20	J/mol×K	577.29	Calculated Property
Cp,liquid	977.29	J/mol×K	611.39	Calculated Property
Cp,liquid	1040.11	J/mol×K	645.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0114862; 0.0002146]	Pa×s	[338.55; 645.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09260e+02
Coefficient B			9.00250e+03
Coefficient C			1.34260e+01
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			338.55
Temperature range, max.			645.50
η	0.0114862	Pa×s	338.55	Calculated Property
η	0.0036552	Pa×s	372.66	Calculated Property
η	0.0015626	Pa×s	406.76	Calculated Property
η	0.0008313	Pa×s	440.87	Calculated Property
η	0.0005217	Pa×s	474.97	Calculated Property
η	0.0003718	Pa×s	509.08	Calculated Property
η	0.0002925	Pa×s	543.18	Calculated Property
η	0.0002489	Pa×s	577.29	Calculated Property
η	0.0002254	Pa×s	611.39	Calculated Property
η	0.0002146	Pa×s	645.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[114.06; 10.64]	kJ/mol	[338.55; 807.70]	ChemSep v8.3 pure component data Compiled value
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			1.14530e+02
Coefficient B			-1.17920e+00
Coefficient C			3.79220e+00
Coefficient D			-2.28930e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.08230e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			338.55
Temperature range, max.			807.70
ΔvapH	114.06	kJ/mol	338.55	Calculated Property
ΔvapH	105.88	kJ/mol	390.68	Calculated Property
ΔvapH	96.85	kJ/mol	442.81	Calculated Property
ΔvapH	87.46	kJ/mol	494.93	Calculated Property
ΔvapH	78.11	kJ/mol	547.06	Calculated Property
ΔvapH	69.07	kJ/mol	599.19	Calculated Property
ΔvapH	60.43	kJ/mol	651.32	Calculated Property
ΔvapH	51.93	kJ/mol	703.44	Calculated Property
ΔvapH	42.24	kJ/mol	755.57	Calculated Property
ΔvapH	10.64	kJ/mol	807.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[503.40; 675.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64855e+01
Coefficient B			-6.20057e+03
Coefficient C			-1.20599e+02
Temperature range, min.			503.40
Temperature range, max.			675.51
Pvap	1.33	kPa	503.40	Calculated Property
Pvap	2.88	kPa	522.52	Calculated Property
Pvap	5.81	kPa	541.65	Calculated Property
Pvap	11.01	kPa	560.77	Calculated Property
Pvap	19.79	kPa	579.89	Calculated Property
Pvap	33.95	kPa	599.02	Calculated Property
Pvap	55.87	kPa	618.14	Calculated Property
Pvap	88.62	kPa	637.26	Calculated Property
Pvap	136.00	kPa	656.39	Calculated Property
Pvap	202.65	kPa	675.51	Calculated Property
Pvap	[1.24e-05; 1150.90]	kPa	[338.55; 807.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.79762e+02
Coefficient B			-2.12600e+04
Coefficient C			-2.20210e+01
Coefficient D			3.67540e-18
Coefficient E			6.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			338.55
Temperature range, max.			807.70
Pvap	1.24e-05	kPa	338.55	Calculated Property
Pvap	2.33e-03	kPa	390.68	Calculated Property
Pvap	0.09	kPa	442.81	Calculated Property
Pvap	1.26	kPa	494.93	Calculated Property
Pvap	8.72	kPa	547.06	Calculated Property
Pvap	37.12	kPa	599.19	Calculated Property
Pvap	112.99	kPa	651.32	Calculated Property
Pvap	274.63	kPa	703.44	Calculated Property
Pvap	581.05	kPa	755.57	Calculated Property
Pvap	1150.90	kPa	807.70	Calculated Property
Pvap	[7.51e-06; 1234.95]	kPa	[338.55; 792.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.53036e+02
Coefficient B			-2.53640e+04
Coefficient C			-3.27535e+01
Coefficient D			7.52974e-06
Coefficient E			0.00000e+00
Temperature range, min.			338.55
Temperature range, max.			792.00
Pvap	7.51e-06	kPa	338.55	Calculated Property
Pvap	1.73e-03	kPa	388.93	Calculated Property
Pvap	0.08	kPa	439.32	Calculated Property
Pvap	1.20	kPa	489.70	Calculated Property
Pvap	8.97	kPa	540.08	Calculated Property
Pvap	40.78	kPa	590.47	Calculated Property
Pvap	130.41	kPa	640.85	Calculated Property
Pvap	324.42	kPa	691.23	Calculated Property
Pvap	674.60	kPa	741.62	Calculated Property
Pvap	1234.95	kPa	792.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[810.75; 216.34]	kg/m3	[338.55; 807.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			4.59225e+01
Coefficient B			2.12270e-01
Coefficient C			8.07700e+02
Coefficient D			2.94000e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			338.55
Temperature range, max.			807.70
ρl	810.75	kg/m3	338.55	Calculated Property
ρl	775.10	kg/m3	390.68	Calculated Property
ρl	737.94	kg/m3	442.81	Calculated Property
ρl	698.89	kg/m3	494.93	Calculated Property
ρl	657.40	kg/m3	547.06	Calculated Property
ρl	612.60	kg/m3	599.19	Calculated Property
ρl	563.01	kg/m3	651.32	Calculated Property
ρl	505.64	kg/m3	703.44	Calculated Property
ρl	432.38	kg/m3	755.57	Calculated Property
ρl	216.34	kg/m3	807.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.98e-06]	N/m	[338.55; 807.70]	ChemSep v8.3 pure component data Compiled value
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			6.08300e-02
Coefficient B			1.40950e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.08230e+02
Comment			ChemSep eq 106, SurfaceTension
Temperature range, min.			338.55
Temperature range, max.			807.70
γ	0.03	N/m	338.55	Calculated Property
γ	0.02	N/m	390.68	Calculated Property
γ	0.02	N/m	442.81	Calculated Property
γ	0.02	N/m	494.93	Calculated Property
γ	0.01	N/m	547.06	Calculated Property
γ	0.01	N/m	599.19	Calculated Property
γ	0.01	N/m	651.32	Calculated Property
γ	0.00	N/m	703.44	Calculated Property
γ	0.00	N/m	755.57	Calculated Property
γ	1.98e-06	N/m	807.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.03; 0.07]	W/m×K	[645.50; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			-6.76480e-01
Coefficient B			4.86850e-02
Coefficient C			-2.96020e+03
Coefficient D			-1.21730e+07
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			645.50
Temperature range, max.			1000.00
λ	0.03	W/m×K	645.50	Calculated Property
λ	0.03	W/m×K	684.89	Calculated Property
λ	0.04	W/m×K	724.28	Calculated Property
λ	0.04	W/m×K	763.67	Calculated Property
λ	0.04	W/m×K	803.06	Calculated Property
λ	0.05	W/m×K	842.44	Calculated Property
λ	0.05	W/m×K	881.83	Calculated Property
λ	0.06	W/m×K	921.22	Calculated Property
λ	0.06	W/m×K	960.61	Calculated Property
λ	0.07	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.13; 0.08]	W/m×K	[338.55; 645.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λ in W/m×K, T in K
Coefficient A			1.93880e-01
Coefficient B			-1.78280e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			ChemSep eq 100, LiquidThermalConductivity
Temperature range, min.			338.55
Temperature range, max.			645.50
λ	0.13	W/m×K	338.55	Calculated Property
λ	0.13	W/m×K	372.66	Calculated Property
λ	0.12	W/m×K	406.76	Calculated Property
λ	0.12	W/m×K	440.87	Calculated Property
λ	0.11	W/m×K	474.97	Calculated Property
λ	0.10	W/m×K	509.08	Calculated Property
λ	0.10	W/m×K	543.18	Calculated Property
λ	0.09	W/m×K	577.29	Calculated Property
λ	0.08	W/m×K	611.39	Calculated Property
λ	0.08	W/m×K	645.50	Calculated Property

Similar Compounds

Find more compounds similar to 1-Eicosanol.

Mixtures

• Eicosane + 1-Eicosanol
• Tetracosane + 1-Eicosanol
• Biphenyl + 1-Eicosanol
• 2,3-Pentadione + 1-Eicosanol
• 1-Eicosanol + Pentane
• n-Hexane + 1-Eicosanol
• Octane + 1-Eicosanol
• 1-Eicosanol + Methyl Alcohol
• Ethanol + 1-Eicosanol
• 1-Propanol + 1-Eicosanol
• 1-Butanol + 1-Eicosanol
• Methylene chloride + 1-Eicosanol
• n-Propyl chloride + 1-Eicosanol
• Butane, 1-chloro- + 1-Eicosanol
• Trichloromethane + 1-Eicosanol
• 1-Eicosanol + Carbon Tetrachloride
• Acetone + 1-Eicosanol
• 1-Eicosanol + Tetrahydrofuran
• 1-Eicosanol + Ethyl Acetate
• Acetic acid, butyl ester + 1-Eicosanol

Find more mixtures with 1-Eicosanol.

Sources

• KDB Vapor Pressure Data
• 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 diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
• Solid-liquid equilibria of eicosane, tetracosane or biphenyl + 1- octadecanol, or + 1-eicosanol mixtures
• Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
• Liquid-Liquid Phase Behavior of Solutions of 1-Dodecyl-3-methylimidazolium Bis(trifluoromethylsulphonyl)imide (C12mimNTf2) in n- Alkyl Alcohols
• Activity Coefficients at Infinite Dilution for Hydrocarbons in Fatty Alcohols Determined by Gas-Liquid Chromatography
• Liquid-Liquid Phase Behavior of Solutions of 1-Octyl- and 1-Decyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide (C8,10mimNTf2) in n-Alkyl Alcohols
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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