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-Icosanol
• 1-PRYDROXYEICOSANE
• Arachic alcohol
• Arachidic alcohol
• Arachidyl alcohol
• Eicosan-1-ol
• Eicosanol
• Eicosanol-(1)
• Eicosyl alcohol
• N-EICOSYL ALCOHOL
• NSC 120887
• 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).
• 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_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.

Physical Properties

Property	Value	Unit	Source
ω	1.1334		Relay (1.0) Calculated Property
ΔcH°liquid	-13130.00 ± 10.00	kJ/mol	NIST
ΔfG°	-19.43	kJ/mol	KDB
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	1300.00	kPa	KDB
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	K	KDB
Tc	809.00	K	KDB
Tfus	[336.90; 344.70]	K
Tfus	339.20	K	KDB
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	338.00 ± 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
Vc	1.186	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[926.90; 1029.83]	J/mol×K	[749.18; 918.60]
Cp,gas	926.90	J/mol×K	749.18	Joback Calculated Property
Cp,gas	946.11	J/mol×K	777.42	Joback Calculated Property
Cp,gas	964.46	J/mol×K	805.65	Joback Calculated Property
Cp,gas	981.97	J/mol×K	833.89	Joback Calculated Property
Cp,gas	998.68	J/mol×K	862.13	Joback Calculated Property
Cp,gas	1014.62	J/mol×K	890.36	Joback Calculated Property
Cp,gas	1029.83	J/mol×K	918.60	Joback Calculated Property
η	[0.0000197; 0.0035106]	Pa×s	[375.98; 749.18]
η	0.0035106	Pa×s	375.98	Joback Calculated Property
η	0.0008012	Pa×s	438.18	Joback Calculated Property
η	0.0002640	Pa×s	500.38	Joback Calculated Property
η	0.0001112	Pa×s	562.58	Joback Calculated Property
η	0.0000556	Pa×s	624.78	Joback Calculated Property
η	0.0000316	Pa×s	686.98	Joback Calculated Property
η	0.0000197	Pa×s	749.18	Joback Calculated Property
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
Pvap	[1.33; 202.65]	kPa	[503.40; 675.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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	[7.51e-06; 1234.95]	kPa	[338.55; 792.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.53036e+02
Coefficient B			-2.53640e+04
Coefficient C			-3.27535e+01
Coefficient D			7.52974e-06
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

Similar Compounds

Find more compounds similar to 1-Eicosanol.

Mixtures

• 2,3-Pentanedione + 1-Eicosanol
• Eicosane + 1-Eicosanol
• Tetracosane + 1-Eicosanol
• Biphenyl + 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)
• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.