Chemical Properties of 1,6-Hexanediamine (CAS 124-09-4)

InChI

InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

InChI Key

NAQMVNRVTILPCV-UHFFFAOYSA-N

Formula

C6H16N2

SMILES

NCCCCCCN

Molecular Weight¹

116.20

CAS

124-09-4

Other Names

• 1,6-Diamino-n-Hexane
• 1,6-Hexamethylenediamine
• 1,6-Hexylenediamine
• 1,6-diaminohexane
• H2N(CH2)6NH2
• HMDA
• Hexylenediamine
• NCI-C61405
• NSC 9257
• UN 2280
• hexamethylenediamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_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_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.5940		Relay (1.0) Calculated Property
PAff	[980.30; 1008.00]	kJ/mol
PAff	999.50	kJ/mol	NIST
PAff	980.30	kJ/mol	NIST
PAff	1008.00	kJ/mol	NIST
BasG	946.20	kJ/mol	NIST
ΔfG°	132.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-123.46	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-205.00	kJ/mol	NIST
ΔfusH°	[39.38; 61.38]	kJ/mol
ΔfusH°	61.38	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.38	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.28	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.16	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.08	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.06	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.01	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.94	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.83	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.75	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.72	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.62	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.44	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.29	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.13	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	60.07	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.84	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.82	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.62	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.51	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.39	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.32	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.20	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.17	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	59.05	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.90	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.74	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.56	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	58.28	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	57.97	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	Outlier 39.38	kJ/mol	Solid-Liquid Equilibria of Naphthalene + Alkanediamine Mixtures
ΔvapH°	61.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	NIST
log10WS	-1.25		Relay (1.0) Calculated Property
logPoct/wat	0.464		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3590.00	kPa	Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
Tboil	477.70	K	NIST
Tc	674.63	K	Relay (1.0) Calculated Property
Tfus	314.86	K	Relay (1.0) Calculated Property
Vc	0.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[301.08; 307.64]	J/mol×K	[314.15; 353.15]
Cp,liquid	301.08	J/mol×K	314.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	301.25	J/mol×K	315.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	301.42	J/mol×K	317.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	301.59	J/mol×K	318.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	301.77	J/mol×K	320.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	301.95	J/mol×K	321.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	302.14	J/mol×K	323.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	302.33	J/mol×K	324.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	302.53	J/mol×K	326.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	302.74	J/mol×K	327.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	302.95	J/mol×K	329.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	303.17	J/mol×K	330.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	303.40	J/mol×K	332.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	303.64	J/mol×K	333.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	303.88	J/mol×K	335.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	304.13	J/mol×K	336.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	304.40	J/mol×K	338.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	304.67	J/mol×K	339.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	304.95	J/mol×K	341.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	305.25	J/mol×K	342.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	305.55	J/mol×K	344.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	305.87	J/mol×K	345.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	306.20	J/mol×K	347.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	306.54	J/mol×K	348.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	306.89	J/mol×K	350.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	307.26	J/mol×K	351.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	307.64	J/mol×K	353.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
ΔfusH	[39.38; 40.21]	kJ/mol	[311.60; 312.30]
ΔfusH	39.38	kJ/mol	311.60	NIST
ΔfusH	40.21	kJ/mol	312.30	NIST
ΔvapH	[49.30; 51.30]	kJ/mol	[405.50; 411.00]
ΔvapH	51.30	kJ/mol	405.50	NIST
ΔvapH	49.30	kJ/mol	411.00	NIST
Psub	[5.20e-04; 0.08]	kPa	[278.49; 313.51]
Psub	5.20e-04	kPa	278.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.50e-04	kPa	278.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.40e-04	kPa	278.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.22e-03	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.22e-03	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.22e-03	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.61e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.61e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.61e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.70e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.70e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.76e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.46e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.47e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.48e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.85e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.85e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.87e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	300.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	303.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	303.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.02	kPa	303.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.03	kPa	306.00	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.03	kPa	306.00	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.04	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.04	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.04	kPa	308.50	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.08	kPa	313.51	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.08	kPa	313.51	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
ρl	[838.10; 856.20]	kg/m3	[313.15; 333.15]
ρl	856.20	kg/m3	313.15	Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine
ρl	850.00	kg/m3	318.15	Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine
ρl	845.30	kg/m3	323.15	Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine
ρl	842.30	kg/m3	328.15	Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine
ρl	838.10	kg/m3	333.15	Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.51; 400.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.04160e+01
Coefficient B			6.97600e-01
Coefficient C			-3.89400e-04
Coefficient D			8.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.51	J/mol×K	273.00	Calculated Property
Cp,gas	212.11	J/mol×K	353.78	Calculated Property
Cp,gas	246.77	J/mol×K	434.56	Calculated Property
Cp,gas	277.75	J/mol×K	515.33	Calculated Property
Cp,gas	305.30	J/mol×K	596.11	Calculated Property
Cp,gas	329.69	J/mol×K	676.89	Calculated Property
Cp,gas	351.18	J/mol×K	757.67	Calculated Property
Cp,gas	370.02	J/mol×K	838.44	Calculated Property
Cp,gas	386.48	J/mol×K	919.22	Calculated Property
Cp,gas	400.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[360.40; 505.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52423e+01
Coefficient B			-4.30331e+03
Coefficient C			-7.26440e+01
Temperature range, min.			360.40
Temperature range, max.			505.97
Pvap	1.33	kPa	360.40	Calculated Property
Pvap	2.95	kPa	376.57	Calculated Property
Pvap	6.04	kPa	392.75	Calculated Property
Pvap	11.54	kPa	408.92	Calculated Property
Pvap	20.75	kPa	425.10	Calculated Property
Pvap	35.46	kPa	441.27	Calculated Property
Pvap	57.93	kPa	457.45	Calculated Property
Pvap	90.95	kPa	473.62	Calculated Property
Pvap	137.88	kPa	489.80	Calculated Property
Pvap	202.64	kPa	505.97	Calculated Property
Pvap	[0.06; 3564.89]	kPa	[313.95; 663.00]	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			2.58003e+02
Coefficient B			-1.79905e+04
Coefficient C			-3.57701e+01
Coefficient D			2.20695e-05
Coefficient E			0.00000e+00
Temperature range, min.			313.95
Temperature range, max.			663.00
Pvap	0.06	kPa	313.95	Calculated Property
Pvap	0.93	kPa	352.73	Calculated Property
Pvap	6.60	kPa	391.52	Calculated Property
Pvap	28.59	kPa	430.30	Calculated Property
Pvap	89.37	kPa	469.08	Calculated Property
Pvap	225.03	kPa	507.87	Calculated Property
Pvap	492.62	kPa	546.65	Calculated Property
Pvap	989.43	kPa	585.43	Calculated Property
Pvap	1895.67	kPa	624.22	Calculated Property
Pvap	3564.89	kPa	663.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Hexanediamine.

Mixtures

• 1,6-Hexanediamine + Water
• 1,6-Hexanediamine + Methyldiethanolamine + Water
• Carbon dioxide + 1,6-Hexanediamine + Water
• 1,6-Hexanediamine + Water + 1-Propanol, 2-amino-2-methyl-
• 1-Butanol + 1,6-Hexanediamine + Water
• 1,6-Hexanediamine + 1-Pentanol + Water
• Ethanol + 1,6-Hexanediamine
• Ethanol + 1,6-Hexanediamine + Water
• 1,6-Hexanediamine + Naphthalene

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
• Vapor-liquid equilibrium measurement and ENRTL Modeling of CO2 absorption in aqueous hexamethylenediamine
• Experimental measurement and Kent-Eisenberg modelling of CO2 solubility in aqueous mixture of 2-amino-2-methyl-1-propanol and hexamethylenediamine
• Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
• Measurement of CO2 absorption enthalpy and heat capacity of aqueous hexamethylenediamine and its aqueous mixture with N-methyldiethanolamine
• Liquid-Liquid Equilibria Determination and Prediction for Ternary Systems of Water + 1,6-Hexanediamine + (1-Butanol or 1-Pentanol) at 298.2, 308.2, and 318.2 K
• Solid-Liquid Equilibria of Naphthalene + Alkanediamine Mixtures
• Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
• Densities and Viscosities of (1,6-Hexanediamine + Ethanol) and (1,6-Hexanediamine + Ethanol + Water) Mixtures at T ) (303.15 to 328.15) K
• Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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