Chemical Properties of 1,2-Ethanediamine, N-(2-aminoethyl)- (CAS 111-40-0)

InChI

InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2

InChI Key

RPNUMPOLZDHAAY-UHFFFAOYSA-N

Formula

C4H13N3

SMILES

NCCNCCN

Molecular Weight¹

103.17

CAS

111-40-0

Other Names

• (Aminoethyl)ethanediamine
• 1,2-Ethanediamine, N1-(2-aminoethyl)-
• 1,4,7-Triazaheptane
• 1,5-Diamino-3-azapentane
• 2,2'-Diaminodiethylamine
• 2,2'-Iminobis(ethanamine)
• 2,2'-Iminobisethylamine
• 2,2'-Iminodiethylamine
• 2-(2-Aminoethylamino)ethylamine
• 3-Azapentane-1,5-diamine
• Aminoethylethandiamine
• Ancamine DETA
• Barsamide 115
• Bis(2-aminoethyl)amine
• Bis[«beta»-aminoethyl]amine
• Bis[«beta»-aminoethyl]amine
• ChS-P 1
• D.E.H. 20
• DEH 20
• DETA
• Diethylamine, 2,2'-diamino-
• Diethylene triamine
• Diethylenetriamine
• Epicure T
• Epon 3223
• Ethylamine, 2,2'-iminobis-
• Ethylenediamine, N-(2-aminoethyl)-
• H 9506
• N,N-Bis(2-aminoethyl)amine
• N-(2-Aminoethyl)-1,2-ethanediamine
• N-(2-Aminoethyl)ethylenediamine
• NSC 446
• Texacure EA-20
• UN 2079
• di(2-aminoethyl)amine
• «beta»,«beta»'-Diaminodiethylamine
• «beta»,«beta»'-Diaminodiethylamine

• 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_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	0.5724		Relay (1.0) Calculated Property
ΔcH°liquid	-3366.70 ± 0.50	kJ/mol	NIST
η	0.0056272	Pa×s	Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures
ΔfG°	205.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-29.02	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-287.00; -65.20]	kJ/mol
ΔfH°liquid	-65.20 ± 0.50	kJ/mol	NIST
ΔfH°liquid	-287.00	kJ/mol	NIST
ΔfusH°	21.61	kJ/mol	Joback Calculated Property
ΔvapH°	63.40 ± 0.70	kJ/mol	NIST
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	0.41		Relay (1.0) Calculated Property
logPoct/wat	-1.507		Crippen Calculated Property
McVol	97.160	ml/mol	McGowan Calculated Property
Pc	3050.00 ± 250.00	kPa	NIST
ρc	286.80 ± 15.47	kg/m3	NIST
Inp	[1025.00; 1030.00]
Inp	1030.00		NIST
Inp	1028.00		NIST
Inp	1025.00		NIST
Inp	1030.00		NIST
I	[1727.00; 1763.00]
I	1729.00		NIST
I	Outlier 1763.00		NIST
I	1748.00		NIST
I	1731.00		NIST
I	1727.00		NIST
I	1734.00		NIST
I	1729.00		NIST
I	1734.00		NIST
Tboil	[477.20; 480.15]	K
Tboil	477.20	K	NIST
Tboil	480.15 ± 2.00	K	NIST
Tboil	480.05	K	NIST
Tc	677.00 ± 6.00	K	NIST
Tfus	234.15	K	NIST
Vc	0.341	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.95; 278.83]	J/mol×K	[486.15; 685.98]
Cp,gas	224.95	J/mol×K	486.15	Joback Calculated Property
Cp,gas	235.11	J/mol×K	519.45	Joback Calculated Property
Cp,gas	244.78	J/mol×K	552.76	Joback Calculated Property
Cp,gas	253.97	J/mol×K	586.06	Joback Calculated Property
Cp,gas	262.70	J/mol×K	619.37	Joback Calculated Property
Cp,gas	270.98	J/mol×K	652.67	Joback Calculated Property
Cp,gas	278.83	J/mol×K	685.98	Joback Calculated Property
Cp,liquid	[254.00; 274.00]	J/mol×K	[303.15; 353.15]
Cp,liquid	269.50	J/mol×K	303.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	269.90	J/mol×K	308.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	254.00	J/mol×K	313.00	NIST
Cp,liquid	270.20	J/mol×K	313.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	270.80	J/mol×K	318.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	271.20	J/mol×K	323.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	272.00	J/mol×K	328.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	272.70	J/mol×K	333.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	273.20	J/mol×K	338.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	273.60	J/mol×K	343.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	273.80	J/mol×K	348.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
Cp,liquid	274.00	J/mol×K	353.15	Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
ΔvapH	54.80	kJ/mol	406.00	NIST
ρl	[891.90; 951.16]	kg/m3	[293.15; 363.15]
ρl	951.16	kg/m3	293.15	Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures
ρl	951.00	kg/m3	293.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	945.80	kg/m3	298.15	Thermodynamic properties and CO2 solubility of monoethanolamine + diethylenetriamine/aminoethylethanolamine mixtures: Experimental measurements and thermodynamic modeling
ρl	942.30	kg/m3	303.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	942.19	kg/m3	303.15	Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures
ρl	942.10	kg/m3	303.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	942.10	kg/m3	303.15	Thermodynamic properties and CO2 solubility of monoethanolamine + diethylenetriamine/aminoethylethanolamine mixtures: Experimental measurements and thermodynamic modeling
ρl	937.90	kg/m3	308.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	937.80	kg/m3	308.15	Thermodynamic properties and CO2 solubility of monoethanolamine + diethylenetriamine/aminoethylethanolamine mixtures: Experimental measurements and thermodynamic modeling
ρl	933.80	kg/m3	313.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	933.80	kg/m3	313.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	933.93	kg/m3	313.15	Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures
ρl	929.60	kg/m3	318.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	925.50	kg/m3	323.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	925.50	kg/m3	323.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	925.42	kg/m3	323.15	Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures
ρl	917.00	kg/m3	333.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	908.90	kg/m3	343.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	900.40	kg/m3	353.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
ρl	891.90	kg/m3	363.15	Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.21e-05; 3989.70]	kPa	[234.15; 676.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.10727e+01
Coefficient B			-9.24563e+03
Coefficient C			-9.48992e+00
Coefficient D			5.98254e-06
Temperature range, min.			234.15
Temperature range, max.			676.00
Pvap	5.21e-05	kPa	234.15	Calculated Property
Pvap	9.35e-03	kPa	283.24	Calculated Property
Pvap	0.31	kPa	332.34	Calculated Property
Pvap	3.66	kPa	381.43	Calculated Property
Pvap	23.34	kPa	430.53	Calculated Property
Pvap	98.57	kPa	479.62	Calculated Property
Pvap	314.84	kPa	528.72	Calculated Property
Pvap	828.98	kPa	577.81	Calculated Property
Pvap	1906.90	kPa	626.91	Calculated Property
Pvap	3989.70	kPa	676.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Ethanediamine, N-(2-aminoethyl)-.

Mixtures

• 1,2-Ethanediamine, N-(2-aminoethyl)- + Water
• Monoethanolamine + 1,2-Ethanediamine, N-(2-aminoethyl)-
• 1,2-Ethanediamine, N-(2-aminoethyl)- + 1-Propanol, 2-methyl-
• Isopropyl Alcohol + 1,2-Ethanediamine, N-(2-aminoethyl)-
• 1,2-Ethanediamine, N-(2-aminoethyl)- + 1-Butanol
• Piperazine + 1,2-Ethanediamine, N-(2-aminoethyl)- + Water
• 1,2-Ethanediamine, N-(2-aminoethyl)- + Ethanol
• 1,2-Ethanediamine, N-(2-aminoethyl)- + Carbon dioxide + Water
• Nitrous oxide + 1,2-Ethanediamine, N-(2-aminoethyl)-
• Nitrous oxide + 1,2-Ethanediamine, N-(2-aminoethyl)- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
• Thermodynamic properties and CO2 solubility of monoethanolamine + diethylenetriamine/aminoethylethanolamine mixtures: Experimental measurements and thermodynamic modeling
• Density, viscosity, and excess properties of aqueous solution of diethylenetriamine (DETA)
• Equilibrium solubility of carbon dioxide in aqueous solutions of (diethylenetriamine + piperazine)
• Excess molar enthalpies for binary mixtures of different amines with water
• Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures
• Molar heat capacities of diethylenetriamine and 3-(methylamino)propylamine, their aqueous binaries, and aqueous ternaries with piperazine
• Volumetric and Viscometric Properties of Alcohol Amines + Ethanol Binary Mixtures
• Solubility of N2O in Aqueous Solution of Diethylenetriamine
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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