Chemical Properties of 1-Undecanol (CAS 112-42-5)

InChI

InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3

InChI Key

KJIOQYGWTQBHNH-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCCCCCCCCCO

Molecular Weight¹

172.31

CAS

112-42-5

Other Names

• 1-HENDECANOL
• 1-Undecyl alcohol
• Alcohol c-11
• Decyl carbinol
• HENDECANOIC ALCOHOL
• Hendecyl alcohol
• N-UNDECYL ALCOHOL
• NSC 403667
• Neodol 1
• Tip-Nip
• Undecan-1-ol
• Undecanol
• Undecanol-(1)
• Undecyl alcohol
• n-Hendecylenic alcohol
• n-Undecan-1-ol
• n-Undecanol

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• 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	0.9400		KDB
ΔcH°liquid	-7253.70 ± 0.80	kJ/mol	NIST
ΔfG°	-95.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.76	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-504.90 ± 0.80	kJ/mol	NIST
ΔfusH°	28.33	kJ/mol	Joback Calculated Property
ΔvapH°	[83.50; 86.80]	kJ/mol
ΔvapH°	85.80 ± 2.10	kJ/mol	NIST
ΔvapH°	84.70	kJ/mol	NIST
ΔvapH°	83.50	kJ/mol	NIST
ΔvapH°	86.80	kJ/mol	NIST
ΔvapH°	85.60	kJ/mol	NIST
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	3.509		Crippen Calculated Property
McVol	171.720	ml/mol	McGowan Calculated Property
Pc	[2147.00; 2150.00]	kPa
Pc	2147.00	kPa	KDB
Pc	2150.00 ± 50.00	kPa	NIST
Pc	2147.00 ± 30.00	kPa	NIST
Pc	2147.00 ± 30.00	kPa	NIST
ρc	[239.51; 239.51]	kg/m3
ρc	239.51 ± 8.62	kg/m3	NIST
ρc	239.51	kg/m3	NIST
ρc	239.51 ± 5.17	kg/m3	NIST
Inp	[233.42; 1387.00]
Inp	1355.10		NIST
Inp	1359.91		NIST
Inp	1371.50		NIST
Inp	1370.50		NIST
Inp	1363.00		NIST
Inp	1363.30		NIST
Inp	1364.30		NIST
Inp	1380.40		NIST
Inp	1356.40		NIST
Inp	1349.00		NIST
Inp	1347.00		NIST
Inp	1348.00		NIST
Inp	1349.00		NIST
Inp	1350.00		NIST
Inp	1348.00		NIST
Inp	1348.00		NIST
Inp	1366.00		NIST
Inp	1379.00		NIST
Inp	1360.00		NIST
Inp	1361.00		NIST
Inp	1370.00		NIST
Inp	1370.00		NIST
Inp	1356.00		NIST
Inp	1373.70		NIST
Inp	1355.00		NIST
Inp	1358.00		NIST
Inp	1361.00		NIST
Inp	1370.00		NIST
Inp	1364.60		NIST
Inp	1374.00		NIST
Inp	1387.00		NIST
Inp	1371.00		NIST
Inp	1374.40		NIST
Inp	1377.50		NIST
Inp	1356.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
Inp	1372.00		NIST
Inp	1372.00		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
Inp	1375.00		NIST
Inp	1376.00		NIST
Inp	1374.00		NIST
Inp	1364.00		NIST
Inp	1363.00		NIST
Inp	1367.00		NIST
Inp	1363.00		NIST
Inp	1371.00		NIST
Inp	1357.00		NIST
Inp	1356.00		NIST
Inp	1372.00		NIST
Inp	1372.00		NIST
Inp	1374.00		NIST
Inp	1360.00		NIST
Inp	1351.00		NIST
Inp	1367.00		NIST
Inp	1381.00		NIST
Inp	1357.00		NIST
Inp	1349.00		NIST
Inp	1354.00		NIST
Inp	1364.00		NIST
Inp	1357.00		NIST
Inp	1357.00		NIST
Inp	1365.00		NIST
Inp	1355.00		NIST
Inp	1355.00		NIST
Inp	1368.00		NIST
Inp	1367.00		NIST
Inp	1357.00		NIST
Inp	1360.00		NIST
Inp	1382.00		NIST
Inp	1387.00		NIST
Inp	1356.00		NIST
Inp	1357.00		NIST
Inp	1358.00		NIST
Inp	1386.00		NIST
Inp	1370.00		NIST
Inp	1382.00		NIST
Inp	1364.00		NIST
Inp	1362.00		NIST
Inp	1361.00		NIST
Inp	Outlier 233.42		NIST
Inp	Outlier 234.77		NIST
Inp	Outlier 234.41		NIST
I	[1816.00; 1886.00]
I	1845.00		NIST
I	1826.00		NIST
I	1861.00		NIST
I	1856.00		NIST
I	1853.00		NIST
I	1861.00		NIST
I	1886.00		NIST
I	1850.00		NIST
I	1840.00		NIST
I	1840.00		NIST
I	1847.00		NIST
I	1875.00		NIST
I	1876.00		NIST
I	1853.00		NIST
I	1820.00		NIST
I	1816.00		NIST
I	1883.00		NIST
I	1838.00		NIST
I	1827.00		NIST
I	1822.00		NIST
I	1867.00		NIST
I	1871.00		NIST
I	1871.00		NIST
I	1822.00		NIST
I	1871.00		NIST
I	1835.00		NIST
Tboil	[516.20; 518.30]	K
Tboil	516.20	K	KDB
Tboil	518.30	K	Ternary liquid-liquid phase equilibria of (water-carboxylic acid-1-undecanol) systems at 298.15 K
Tc	703.60	K	KDB
Tfus	[288.45; 292.00]	K
Tfus	292.00	K	KDB
Tfus	289.63	K	Experimental (Solid + Liquid) and (Liquid + Liquid) Equilibria and Excess Molar Volume of Alkanol + Acetonitrile, Propanenitrile, and Butanenitrile Mixtures
Tfus	288.45 ± 0.50	K	NIST
Tfus	289.65 ± 0.30	K	NIST
Vc	[0.718; 0.718]	m3/kmol
Vc	0.718	m3/kmol	KDB
Vc	0.718	m3/kmol	NIST
Zc	0.2635080		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.64; 504.67]	J/mol×K	[543.26; 701.29]
Cp,gas	428.64	J/mol×K	543.26	Joback Calculated Property
Cp,gas	442.60	J/mol×K	569.60	Joback Calculated Property
Cp,gas	456.02	J/mol×K	595.94	Joback Calculated Property
Cp,gas	468.92	J/mol×K	622.27	Joback Calculated Property
Cp,gas	481.33	J/mol×K	648.61	Joback Calculated Property
Cp,gas	493.24	J/mol×K	674.95	Joback Calculated Property
Cp,gas	504.67	J/mol×K	701.29	Joback Calculated Property
Cp,liquid	[406.34; 419.80]	J/mol×K	[298.15; 303.65]
Cp,liquid	406.34	J/mol×K	298.15	NIST
Cp,liquid	419.80	J/mol×K	303.00	NIST
Cp,liquid	406.80	J/mol×K	303.15	NIST
Cp,liquid	414.80	J/mol×K	303.65	NIST
η	[0.0078410; 0.0172840]	Pa×s	[293.15; 313.15]
η	0.0172840	Pa×s	293.15	Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
η	0.0171820	Pa×s	293.15	Densities and Kinematic Viscosities of Ten Binary 1-Alkanol Liquid Systems at Temperatures of (293.15 and 298.15) K
η	0.0137210	Pa×s	298.15	Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
η	0.0140250	Pa×s	298.15	Densities and Kinematic Viscosities of Ten Binary 1-Alkanol Liquid Systems at Temperatures of (293.15 and 298.15) K
η	0.0115240	Pa×s	303.15	Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
η	0.0093500	Pa×s	308.15	Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
η	0.0078410	Pa×s	313.15	Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
ΔvapH	[68.50; 83.60]	kJ/mol	[317.50; 463.50]
ΔvapH	83.60	kJ/mol	317.50	NIST
ΔvapH	79.50	kJ/mol	333.50	NIST
ΔvapH	72.30	kJ/mol	454.50	NIST
ΔvapH	68.70	kJ/mol	458.00	NIST
ΔvapH	68.50	kJ/mol	463.50	NIST
ρl	[800.20; 829.34]	kg/m3	[298.15; 338.15]
ρl	828.00	kg/m3	298.15	Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods
ρl	829.34	kg/m3	298.15	Experimental Solid + Liquid Equilibria and Excess Molar Volume of Alkanol + Octylamine Mixtures. Analysis in Terms of ERAS, DISQUAC, and Modified UNIFAC
ρl	821.00	kg/m3	308.15	Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods
ρl	814.20	kg/m3	318.15	Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods
ρl	807.20	kg/m3	328.15	Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods
ρl	800.20	kg/m3	338.15	Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[404.20; 419.20]	K	[2.00; 4.00]
Tboilr	404.20	K	2.00	NIST
Tboilr	419.20	K	4.00	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	827.7
298.15	1000.00	828.2
298.15	5000.00	830.7
298.15	10000.00	833.6
298.15	15000.00	836.4
298.15	20000.00	839.2
298.15	25000.00	841.8
298.15	30000.00	844.4
298.15	35000.00	846.9
298.15	40000.00	849.4
298.15	45000.00	851.8
298.15	50000.00	854.2
298.15	55000.00	856.5
298.15	60000.00	858.7
308.15	100.00	820.9
308.15	1000.00	821.5
308.15	5000.00	824.0
308.15	10000.00	827.1
308.15	15000.00	830.0
308.15	20000.00	832.9
308.15	25000.00	835.6
308.15	30000.00	838.3
308.15	35000.00	840.9
308.15	40000.00	843.4
308.15	45000.00	845.9
308.15	50000.00	848.3
308.15	55000.00	850.7
308.15	60000.00	852.9
318.15	100.00	814.1
318.15	1000.00	814.7
318.15	5000.00	817.4
318.15	10000.00	820.6
318.15	15000.00	823.7
318.15	20000.00	826.6
318.15	25000.00	829.5
318.15	30000.00	832.3
318.15	35000.00	834.8
318.15	40000.00	837.6
318.15	45000.00	840.1
318.15	50000.00	842.6
318.15	55000.00	845.1
318.15	60000.00	847.3
328.15	100.00	807.4
328.15	1000.00	808.0
328.15	5000.00	810.8
328.15	10000.00	814.1
328.15	15000.00	817.3
328.15	20000.00	820.4
328.15	25000.00	823.3
328.15	30000.00	826.2
328.15	35000.00	829.0
328.15	40000.00	831.7
328.15	45000.00	834.4
328.15	50000.00	837.0
328.15	55000.00	839.5
328.15	60000.00	841.8
338.15	100.00	800.5
338.15	1000.00	801.1
338.15	5000.00	803.9
338.15	10000.00	807.3
338.15	15000.00	810.6
338.15	20000.00	813.8
338.15	25000.00	816.9
338.15	30000.00	819.9
338.15	35000.00	822.8
338.15	40000.00	825.6
338.15	45000.00	828.4
338.15	50000.00	831.0
338.15	55000.00	833.6
338.15	60000.00	836.0
348.15	100.00	793.3
348.15	1000.00	793.8
348.15	5000.00	797.1
348.15	10000.00	800.8
348.15	15000.00	804.3
348.15	20000.00	807.6
348.15	25000.00	810.8
348.15	30000.00	813.9
348.15	35000.00	816.9
348.15	40000.00	819.9
348.15	45000.00	822.7
348.15	50000.00	825.5
348.15	55000.00	828.1
348.15	60000.00	830.7
358.15	100.00	786.0
358.15	1000.00	786.8
358.15	5000.00	790.0
358.15	10000.00	793.9
358.15	15000.00	797.6
358.15	20000.00	801.1
358.15	25000.00	804.4
358.15	30000.00	807.7
358.15	35000.00	810.8
358.15	40000.00	813.9
358.15	45000.00	816.6
358.15	50000.00	819.6
358.15	55000.00	822.4
358.15	60000.00	824.9
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[401.52; 529.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77538e+01
Coefficient B			-5.52497e+03
Coefficient C			-8.51960e+01
Temperature range, min.			401.52
Temperature range, max.			529.24
Pvap	1.33	kPa	401.52	Calculated Property
Pvap	2.82	kPa	415.71	Calculated Property
Pvap	5.62	kPa	429.90	Calculated Property
Pvap	10.59	kPa	444.09	Calculated Property
Pvap	19.01	kPa	458.28	Calculated Property
Pvap	32.71	kPa	472.48	Calculated Property
Pvap	54.16	kPa	486.67	Calculated Property
Pvap	86.64	kPa	500.86	Calculated Property
Pvap	134.37	kPa	515.05	Calculated Property
Pvap	202.63	kPa	529.24	Calculated Property
Pvap	[1.27e-04; 2061.92]	kPa	[289.05; 704.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.67298e+02
Coefficient B			-2.08778e+04
Coefficient C			-3.62321e+01
Coefficient D			1.52436e-05
Temperature range, min.			289.05
Temperature range, max.			704.00
Pvap	1.27e-04	kPa	289.05	Calculated Property
Pvap	0.02	kPa	335.16	Calculated Property
Pvap	0.55	kPa	381.26	Calculated Property
Pvap	5.75	kPa	427.37	Calculated Property
Pvap	30.79	kPa	473.47	Calculated Property
Pvap	106.83	kPa	519.58	Calculated Property
Pvap	278.28	kPa	565.68	Calculated Property
Pvap	601.06	kPa	611.79	Calculated Property
Pvap	1152.94	kPa	657.89	Calculated Property
Pvap	2061.92	kPa	704.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Undecanol.

Mixtures

• 1-Undecanol + Water
• 1-Undecanol + Formic acid + Water
• 1-Undecanol + Acetic acid + Water
• 1-Undecanol + Propanoic acid + Water
• 1-Undecanol + Butanoic acid + Water
• 1-Undecanol + Pentanoic acid + Water
• 1-Undecanol + 1-Hexanol
• 1-Undecanol + 1-Octanol
• 1-Undecanol + 1-Decanol
• 1-Undecanol + 1-Dodecanol
• 1-Octanamine + 1-Undecanol
• 1-Undecanol + Acetonitrile
• 1-Undecanol + Propanenitrile
• 1-Undecanol + Butanenitrile
• 1-Undecanol + 1-Pentanol
• 1-Undecanol + 1-Propanol
• 1-Undecanol + Carbon dioxide
• 1-Undecanol + Isopropyl Alcohol + Water
• 1-Undecanol + Ethanol + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid-liquid phase equilibrium of (piperidinium-based ionic liquid + an alcohol) binary systems and modelling with NRHB and PCP-SAFT
• Ternary liquid-liquid phase equilibria of (water-carboxylic acid-1-undecanol) systems at 298.15 K
• Study of the phase equilibrium of the water + 2-propanol + 1- undecanol ternary system between 275.15 K and 288.15 K. Comparison with the water + ethanol + 1-undecanol System
• PrhoT measurements and derived properties of liquid 1-alkanols
• High pressures phase equilibria of (carbon dioxide + 1-undecanol) system and their potential role in carbon capture and storage
• Influence of the Temperature on the Liquid Liquid Solid Equilibria of the Water + Ethanol + 1-Undecanol Ternary System
• Viscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay's Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods
• Experimental Solid + Liquid Equilibria and Excess Molar Volume of Alkanol + Octylamine Mixtures. Analysis in Terms of ERAS, DISQUAC, and Modified UNIFAC
• Measurement of Density and Viscosity of Binary 1-Alkanol Systems (C8-C11) at 101 kPa and Temperatures from (283.15 to 313.15) K
• Experimental (Solid + Liquid) and (Liquid + Liquid) Equilibria and Excess Molar Volume of Alkanol + Acetonitrile, Propanenitrile, and Butanenitrile Mixtures
• Liquid-Liquid Phase Behavior of Solutions of 1-Dodecyl-3-methylimidazolium Bis(trifluoromethylsulphonyl)imide (C12mimNTf2) in n- Alkyl Alcohols
• Liquid-Liquid Phase Behavior of Solutions of 1-Hexyl-3-methylimidazolium Bis((trifluoromethyl)sulfonyl)amide (C6mimNTf2) in n-Alkyl Alcohols
• Liquid Liquid Phase Behavior of Solutions of 1-Butyl-3-methylimidazolium Bis((trifluoromethyl)sulfonyl)amide (C4mimNTf2) in n-Alkyl Alcohols
• Densities and Kinematic Viscosities of Ten Binary 1-Alkanol Liquid Systems at Temperatures of (293.15 and 298.15) K
• 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.