Chemical Properties of 1-Hexanamine (CAS 111-26-2)

InChI

InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3

InChI Key

BMVXCPBXGZKUPN-UHFFFAOYSA-N

Formula

C6H15N

SMILES

CCCCCCN

Molecular Weight¹

101.19

CAS

111-26-2

Other Names

• 1-AMINOHEXANE
• 1-Hexylamine
• HEXYLAMINE
• Mono-n-hexylamine
• n-C6H13NH2
• n-Hexylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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).
• V_m : Molar Volume (m³/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.4652		Relay (1.0) Calculated Property
PAff	[927.50; 927.60]	kJ/mol
PAff	927.50	kJ/mol	NIST
PAff	927.60	kJ/mol	NIST
PAff	927.60	kJ/mol	NIST
BasG	893.50	kJ/mol	NIST
ΔcH°liquid	-4292.80	kJ/mol	NIST
ΔfG°	66.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-193.90	kJ/mol	NIST
ΔfH°liquid	-239.00	kJ/mol	NIST
ΔfusH°	16.49	kJ/mol	Joback Calculated Property
ΔvapH°	[45.00; 45.13]	kJ/mol
ΔvapH°	45.13	kJ/mol	NIST
ΔvapH°	45.00	kJ/mol	NIST
ΔvapH°	45.10 ± 0.10	kJ/mol	NIST
ΔvapH°	45.10 ± 0.06	kJ/mol	NIST
IE	[8.60; 8.63]	eV
IE	8.60	eV	NIST
IE	8.60	eV	NIST
IE	8.63 ± 0.05	eV	NIST
log10WS	-1.10		Aq. Solubility Prediction
logPoct/wat	1.525		Crippen Calculated Property
McVol	105.380	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	3314.37	kPa	Joback Calculated Property
Inp	[813.40; 848.00]
Inp	813.40		NIST
Inp	835.30		NIST
Inp	834.40		NIST
Inp	813.40		NIST
Inp	816.00		NIST
Inp	829.00		NIST
Inp	848.00		NIST
Inp	848.00		NIST
Inp	839.00		NIST
Inp	827.00		NIST
Inp	830.00		NIST
Inp	830.00		NIST
Inp	829.00		NIST
Inp	835.00		NIST
Inp	831.00		NIST
Inp	832.00		NIST
Inp	833.00		NIST
Inp	830.00		NIST
Inp	839.00		NIST
Inp	818.00		NIST
Inp	830.00		NIST
I	[1110.00; 1123.00]
I	1115.00		NIST
I	1112.00		NIST
I	1120.00		NIST
I	1115.00		NIST
I	1110.00		NIST
I	1112.00		NIST
I	1123.00		NIST
I	1113.00		NIST
Tboil	403.15	K	KDB
Tc	592.30	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tfus	[251.17; 260.15]	K
Tfus	251.17	K	Aq. Solubility Prediction
Tfus	251.85	K	NIST
Tfus	251.90 ± 0.60	K	NIST
Tfus	254.15 ± 2.00	K	NIST
Tfus	Outlier 260.15 ± 4.00	K	NIST
Tfus	254.15 ± 1.00	K	NIST
Vc	0.395	m3/kmol	Relay (1.0) Calculated Property
Vm	1.33e-04	m3/mol	Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.01; 272.92]	J/mol×K	[409.21; 589.14]
Cp,gas	211.01	J/mol×K	409.21	Joback Calculated Property
Cp,gas	222.42	J/mol×K	439.20	Joback Calculated Property
Cp,gas	233.38	J/mol×K	469.19	Joback Calculated Property
Cp,gas	243.90	J/mol×K	499.18	Joback Calculated Property
Cp,gas	253.99	J/mol×K	529.16	Joback Calculated Property
Cp,gas	263.66	J/mol×K	559.15	Joback Calculated Property
Cp,gas	272.92	J/mol×K	589.14	Joback Calculated Property
Cp,liquid	252.00	J/mol×K	298.15	NIST
ΔvapH	[36.54; 42.20]	kJ/mol	[354.50; 405.90]
ΔvapH	42.20	kJ/mol	354.50	NIST
ΔvapH	36.54	kJ/mol	405.90	NIST
ρl	[755.85; 764.42]	kg/m3	[293.15; 303.15]
ρl	764.42	kg/m3	293.15	Thermodynamics of amide + amine mixtures. 1. Volumetric, speed of sound, and refractive index data for N,Ndimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures
ρl	760.16	kg/m3	298.15	Thermodynamics of amide + amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at 298.15 K. Application of the ERAS model
ρl	760.07	kg/m3	298.15	Thermodynamics of amide + amine mixtures. 1. Volumetric, speed of sound, and refractive index data for N,Ndimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures
ρl	755.85	kg/m3	303.15	Thermodynamics of amide + amine mixtures. 1. Volumetric, speed of sound, and refractive index data for N,Ndimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures

Datasets

1. Viscosity, Pa*s (1)
2. Mass density, kg/m3 (2)

Viscosity, Pa*s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Viscosity, Pa*s - Liquid
100.00	293.15	0.0008
100.00	313.15	0.0006
100.00	333.15	0.0005
100.00	353.15	0.0004
20000.00	293.15	0.0010
20000.00	313.15	0.0007
20000.00	333.15	0.0006
20000.00	353.15	0.0005
40000.00	293.15	0.0012
40000.00	313.15	0.0008
40000.00	333.15	0.0007
40000.00	353.15	0.0005
60000.00	293.15	0.0014
60000.00	313.15	0.0010
60000.00	333.15	0.0008
60000.00	353.15	0.0006
80000.00	293.15	0.0016
80000.00	313.15	0.0011
80000.00	333.15	0.0009
80000.00	353.15	0.0007
100000.00	293.15	0.0018
100000.00	313.15	0.0013
100000.00	333.15	0.0010
100000.00	353.15	0.0008
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	765.1
293.15	10000.00	771.5
293.15	20000.00	777.6
293.15	30000.00	783.4
293.15	40000.00	788.8
293.15	50000.00	793.8
293.15	60000.00	798.8
293.15	70000.00	803.3
293.15	80000.00	807.7
293.15	90000.00	811.9
293.15	100000.00	815.9
293.15	110000.00	819.8
293.15	120000.00	823.5
293.15	130000.00	827.1
293.15	140000.00	830.5
303.15	100.00	756.2
303.15	10000.00	763.5
303.15	20000.00	770.2
303.15	30000.00	776.3
303.15	40000.00	781.9
303.15	50000.00	787.2
303.15	60000.00	792.2
303.15	70000.00	796.9
303.15	80000.00	801.5
303.15	90000.00	805.8
303.15	100000.00	810.0
303.15	110000.00	814.0
303.15	120000.00	817.9
303.15	130000.00	821.6
303.15	140000.00	825.1
313.15	100.00	748.2
313.15	10000.00	755.4
313.15	20000.00	762.3
313.15	30000.00	768.6
313.15	40000.00	774.6
313.15	50000.00	780.2
313.15	60000.00	785.3
313.15	70000.00	790.3
313.15	80000.00	794.9
313.15	90000.00	799.4
313.15	100000.00	803.7
313.15	110000.00	807.8
313.15	120000.00	811.7
313.15	130000.00	815.5
313.15	140000.00	819.1
323.15	100.00	738.9
323.15	10000.00	746.9
323.15	20000.00	754.2
323.15	30000.00	761.0
323.15	40000.00	767.2
323.15	50000.00	772.9
323.15	60000.00	778.4
323.15	70000.00	783.5
323.15	80000.00	788.4
323.15	90000.00	792.9
323.15	100000.00	797.3
323.15	110000.00	801.7
323.15	120000.00	805.8
323.15	130000.00	809.7
323.15	140000.00	813.5
333.15	100.00	730.2
333.15	10000.00	738.7
333.15	20000.00	746.3
333.15	30000.00	753.4
333.15	40000.00	759.9
333.15	50000.00	765.9
333.15	60000.00	771.6
333.15	70000.00	776.9
333.15	80000.00	781.9
333.15	90000.00	786.7
333.15	100000.00	791.2
333.15	110000.00	795.7
333.15	120000.00	799.9
333.15	130000.00	803.8
333.15	140000.00	807.6
343.15	100.00	721.3
343.15	10000.00	730.6
343.15	20000.00	738.8
343.15	30000.00	746.4
343.15	40000.00	753.2
343.15	50000.00	759.6
343.15	60000.00	765.6
343.15	70000.00	771.0
343.15	80000.00	776.2
343.15	90000.00	781.1
343.15	100000.00	785.9
343.15	110000.00	790.3
343.15	120000.00	794.6
343.15	130000.00	798.8
343.15	140000.00	802.7
353.15	100.00	712.4
353.15	10000.00	722.3
353.15	20000.00	731.1
353.15	30000.00	739.0
353.15	40000.00	746.0
353.15	50000.00	752.5
353.15	60000.00	759.0
353.15	70000.00	764.6
353.15	80000.00	770.0
353.15	90000.00	775.1
353.15	100000.00	780.0
353.15	110000.00	784.6
353.15	120000.00	789.1
353.15	130000.00	793.2
353.15	140000.00	797.3
Reference

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	765.0
293.15	10000.00	771.2
293.15	20000.00	777.4
293.15	30000.00	783.2
293.15	40000.00	788.6
293.15	50000.00	793.7
293.15	60000.00	798.6
293.15	70000.00	803.1
293.15	80000.00	807.5
293.15	90000.00	811.8
293.15	100000.00	815.8
293.15	110000.00	819.6
293.15	120000.00	823.3
293.15	130000.00	826.9
293.15	140000.00	830.3
353.15	100.00	712.4
353.15	10000.00	722.4
353.15	20000.00	731.1
353.15	30000.00	739.1
353.15	40000.00	746.2
353.15	50000.00	752.8
353.15	60000.00	758.9
353.15	70000.00	764.7
353.15	80000.00	770.1
353.15	90000.00	775.2
353.15	100000.00	780.1
353.15	110000.00	784.7
353.15	120000.00	789.2
353.15	130000.00	793.4
353.15	140000.00	797.5
363.15	100.00	703.9
363.15	10000.00	714.4
363.15	20000.00	723.6
363.15	30000.00	731.9
363.15	40000.00	739.3
363.15	50000.00	746.2
363.15	60000.00	752.6
363.15	70000.00	758.5
363.15	80000.00	764.1
363.15	90000.00	769.4
363.15	100000.00	774.4
363.15	110000.00	779.1
363.15	120000.00	783.6
363.15	130000.00	787.9
363.15	140000.00	792.1
373.15	100.00	694.8
373.15	10000.00	706.0
373.15	20000.00	716.0
373.15	30000.00	724.5
373.15	40000.00	732.4
373.15	50000.00	739.5
373.15	60000.00	746.1
373.15	70000.00	752.2
373.15	80000.00	758.1
373.15	90000.00	763.5
373.15	100000.00	768.7
373.15	110000.00	773.5
373.15	120000.00	778.2
373.15	130000.00	782.6
373.15	140000.00	786.9
383.15	100.00	686.1
383.15	10000.00	698.2
383.15	20000.00	708.6
383.15	30000.00	717.6
383.15	40000.00	725.8
383.15	50000.00	733.3
383.15	60000.00	740.2
383.15	70000.00	746.5
383.15	80000.00	752.5
383.15	90000.00	758.1
383.15	100000.00	763.4
383.15	110000.00	768.3
383.15	120000.00	773.2
383.15	130000.00	777.7
383.15	140000.00	782.0
393.15	100.00	676.2
393.15	10000.00	689.2
393.15	20000.00	700.3
393.15	30000.00	709.8
393.15	40000.00	718.4
393.15	50000.00	726.6
393.15	60000.00	733.7
393.15	70000.00	740.3
393.15	80000.00	746.5
393.15	90000.00	752.2
393.15	100000.00	757.7
393.15	110000.00	762.9
393.15	120000.00	767.8
393.15	130000.00	772.5
393.15	140000.00	776.9
403.15	100.00	666.9
403.15	10000.00	680.9
403.15	20000.00	692.5
403.15	30000.00	702.8
403.15	40000.00	711.7
403.15	50000.00	719.9
403.15	60000.00	727.2
403.15	70000.00	734.1
403.15	80000.00	740.4
403.15	90000.00	746.5
403.15	100000.00	752.1
403.15	110000.00	757.4
403.15	120000.00	762.5
403.15	130000.00	767.2
403.15	140000.00	771.8
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[300.41; 427.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51494e+01
Coefficient B			-3.70763e+03
Coefficient C			-5.09360e+01
Temperature range, min.			300.41
Temperature range, max.			427.81
Pvap	1.33	kPa	300.41	Calculated Property
Pvap	2.96	kPa	314.57	Calculated Property
Pvap	6.06	kPa	328.72	Calculated Property
Pvap	11.58	kPa	342.88	Calculated Property
Pvap	20.84	kPa	357.03	Calculated Property
Pvap	35.59	kPa	371.19	Calculated Property
Pvap	58.11	kPa	385.34	Calculated Property
Pvap	91.15	kPa	399.50	Calculated Property
Pvap	138.05	kPa	413.65	Calculated Property
Pvap	202.67	kPa	427.81	Calculated Property
Pvap	[0.04; 3204.60]	kPa	[251.85; 583.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.12428e+01
Coefficient B			-8.22951e+03
Coefficient C			-1.12604e+01
Coefficient D			7.80800e-06
Temperature range, min.			251.85
Temperature range, max.			583.00
Pvap	0.04	kPa	251.85	Calculated Property
Pvap	0.66	kPa	288.64	Calculated Property
Pvap	5.15	kPa	325.44	Calculated Property
Pvap	24.50	kPa	362.23	Calculated Property
Pvap	83.35	kPa	399.03	Calculated Property
Pvap	223.83	kPa	435.82	Calculated Property
Pvap	507.39	kPa	472.62	Calculated Property
Pvap	1017.30	kPa	509.41	Calculated Property
Pvap	1865.21	kPa	546.21	Calculated Property
Pvap	3204.60	kPa	583.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexanamine.

Mixtures

• 1-Hexanamine + 1-Butanol
• 1-Hexanamine + Formamide, N,N-dimethyl-
• 1-Hexanamine + N,N-Dimethylacetamide
• 1-Hexanamine + Heptane
• 1-Hexanamine + 1-Butanol + Heptane

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• 1-Butanol + hexylamine + n-heptane at temperature range (288.15 323.15 K): Experimental density data, excess molar volumes determination and modeling with cubic EOS
• Thermodynamic study of heptane + amine mixtures. V. Excess and solvation Gibbs energies
• Thermodynamics of amide + amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at 298.15 K. Application of the ERAS model
• High-pressure (up to 140 MPa) density and derivative properties of some (pentyl-, hexyl-, and heptyl-) amines between (293.15 and 353.15) K
• Influence of the chain length on the dynamic viscosity at high pressure of some amines: Measurements and comparative study of some models
• Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
• Heat capacity of 1-pentylamine and 1-hexylamine: Experimental determination and modeling through a two-state association model (TSAM)
• Thermodynamics of amide + amine mixtures. 1. Volumetric, speed of sound, and refractive index data for N,Ndimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Thermodynamic Parameters of Anionic Surfactant-Additive Systems at the Cloud Point
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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