Chemical Properties of 1-Piperazineethanamine (CAS 140-31-8)

InChI

InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2

InChI Key

IMUDHTPIFIBORV-UHFFFAOYSA-N

Formula

C6H15N3

SMILES

NCCN1CCNCC1

Molecular Weight¹

129.20

CAS

140-31-8

Other Names

• 1-(2-Aminoethyl)piperazine
• 1-Aminoethylpiperazine
• 1-Piperazineethylamine
• 2-Piperazinylethylamine
• 2-piperazin-1-ylethylamine
• AEP
• Aminoethylpiperazine
• N-(.beta.-aminoethyl)piperazine)
• N-(2-aminoethyl)piperazine
• N-(Aminoethyl)piperazine
• N-(«beta»-Aminoethyl)piperazine
• N-aminoethyl piperazine
• NSC 38968
• Piperazine, 1-(2-aminoethyl)-
• UN 2815
• USAF DO-46
• piperazine, N-(2-aminoethyl)-

• ω : Acentric Factor.
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5572		ChemSep v8.3 pure component data
ΔfG°	279.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	25.10	kJ/mol	ChemSep v8.3 pure component data
ΔvapH°	68.70 ± 0.30	kJ/mol	NIST
logPoct/wat	-1.150		Crippen Calculated Property
McVol	114.480	ml/mol	McGowan Calculated Property
Pc	3850.00	kPa	ChemSep v8.3 pure component data
Ptriple	6.95e-05	kPa	ChemSep v8.3 pure component data
Inp	[1150.00; 1198.00]
Inp	1150.00		NIST
Inp	1186.00		NIST
Inp	1198.00		NIST
Inp	1150.00		NIST
I	[1795.00; 1865.00]
I	1795.00		NIST
I	1806.00		NIST
I	1842.00		NIST
I	1813.00		NIST
I	1827.00		NIST
I	1865.00		NIST
Tboil	[483.15; 495.15]	K
Tboil	495.15	K	ChemSep v8.3 pure component data
Tboil	493.20	K	NIST
Tboil	483.15 ± 2.00	K	NIST
Tboil	495.15	K	NIST
Tc	708.00	K	ChemSep v8.3 pure component data
Tfus	[254.15; 255.60]	K
Tfus	254.15	K	ChemSep v8.3 pure component data
Tfus	255.55	K	NIST
Tfus	255.60 ± 0.60	K	NIST
Ttriple	254.15	K	ChemSep v8.3 pure component data
UQi	4.42		ChemSep v8.3 pure component data
URi	5.56		ChemSep v8.3 pure component data
Vc	0.475	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2660000		ChemSep v8.3 pure component data
Zra	0.27		ChemSep v8.3 pure component data

Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[284.00; 304.60]	J/mol×K	[303.20; 353.20]
Cp,liquid	289.70	J/mol×K	303.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	290.80	J/mol×K	308.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	293.10	J/mol×K	313.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	294.70	J/mol×K	318.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	296.90	J/mol×K	323.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	298.50	J/mol×K	328.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	284.00	J/mol×K	333.00	NIST
Cp,liquid	300.70	J/mol×K	333.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	302.20	J/mol×K	338.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	303.30	J/mol×K	343.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	303.60	J/mol×K	348.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
Cp,liquid	304.60	J/mol×K	353.20	Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
ΔvapH	68.70	kJ/mol	298.15	Vapour pressure and enthalpy of vaporization of aliphatic poly-amines
ρl	[965.12; 981.13]	kg/m3	[303.20; 343.20]
ρl	981.13	kg/m3	303.20	Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine
ρl	977.36	kg/m3	313.20	Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine
ρl	973.99	kg/m3	323.20	Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine
ρl	969.46	kg/m3	333.20	Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine
ρl	965.12	kg/m3	343.20	Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.74; 468.38]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.08880e+01
Coefficient B			-4.50730e+02
Coefficient C			6.15824e+00
Coefficient D			1.82850e-04
Coefficient E			-6.52680e-08
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	165.74	J/mol×K	273.00	Calculated Property
Cp,gas	238.39	J/mol×K	409.33	Calculated Property
Cp,gas	295.09	J/mol×K	545.67	Calculated Property
Cp,gas	339.08	J/mol×K	682.00	Calculated Property
Cp,gas	373.78	J/mol×K	818.33	Calculated Property
Cp,gas	401.58	J/mol×K	954.67	Calculated Property
Cp,gas	424.04	J/mol×K	1091.00	Calculated Property
Cp,gas	442.22	J/mol×K	1227.33	Calculated Property
Cp,gas	456.83	J/mol×K	1363.67	Calculated Property
Cp,gas	468.38	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[283.29; 368.13]	J/mol×K	[293.15; 524.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			2.59220e+02
Coefficient B			3.31040e+02
Coefficient C			-3.29976e+00
Coefficient D			2.36050e-02
Coefficient E			-1.82480e-05
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			293.15
Temperature range, max.			524.00
Cp,liquid	283.29	J/mol×K	293.15	Calculated Property
Cp,liquid	289.46	J/mol×K	318.80	Calculated Property
Cp,liquid	296.82	J/mol×K	344.45	Calculated Property
Cp,liquid	305.35	J/mol×K	370.10	Calculated Property
Cp,liquid	314.95	J/mol×K	395.75	Calculated Property
Cp,liquid	325.41	J/mol×K	421.40	Calculated Property
Cp,liquid	336.42	J/mol×K	447.05	Calculated Property
Cp,liquid	347.56	J/mol×K	472.70	Calculated Property
Cp,liquid	358.32	J/mol×K	498.35	Calculated Property
Cp,liquid	368.13	J/mol×K	524.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2327067; 0.0001184]	Pa×s	[254.15; 566.40]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.97905e+02
Coefficient B			2.26665e+04
Coefficient C			7.43602e+01
Coefficient D			-7.02789e-05
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			254.15
Temperature range, max.			566.40
η	0.2327067	Pa×s	254.15	Calculated Property
η	0.0187035	Pa×s	288.84	Calculated Property
η	0.0042858	Pa×s	323.54	Calculated Property
η	0.0017907	Pa×s	358.23	Calculated Property
η	0.0010389	Pa×s	392.93	Calculated Property
η	0.0007041	Pa×s	427.62	Calculated Property
η	0.0004977	Pa×s	462.32	Calculated Property
η	0.0003401	Pa×s	497.01	Calculated Property
η	0.0002133	Pa×s	531.71	Calculated Property
η	0.0001184	Pa×s	566.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[70.22; 0.00]	kJ/mol	[254.15; 708.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			9.78558e+01
Coefficient B			8.14708e-01
Coefficient C			2.37006e-02
Coefficient D			-6.90218e-01
Coefficient E			2.60899e-01
Critical temperature, Tc (K)			7.08000e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			254.15
Temperature range, max.			708.00
ΔvapH	70.22	kJ/mol	254.15	Calculated Property
ΔvapH	65.35	kJ/mol	304.58	Calculated Property
ΔvapH	60.71	kJ/mol	355.01	Calculated Property
ΔvapH	56.27	kJ/mol	405.43	Calculated Property
ΔvapH	51.94	kJ/mol	455.86	Calculated Property
ΔvapH	47.59	kJ/mol	506.29	Calculated Property
ΔvapH	42.96	kJ/mol	556.72	Calculated Property
ΔvapH	37.51	kJ/mol	607.14	Calculated Property
ΔvapH	29.78	kJ/mol	657.57	Calculated Property
ΔvapH	0.00	kJ/mol	708.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[6.97e-05; 3835.23]	kPa	[254.15; 708.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.20835e+02
Coefficient B			-1.20672e+04
Coefficient C			-1.50491e+01
Coefficient D			6.42407e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			254.15
Temperature range, max.			708.00
Pvap	6.97e-05	kPa	254.15	Calculated Property
Pvap	0.01	kPa	304.58	Calculated Property
Pvap	0.49	kPa	355.01	Calculated Property
Pvap	5.80	kPa	405.43	Calculated Property
Pvap	35.34	kPa	455.86	Calculated Property
Pvap	139.00	kPa	506.29	Calculated Property
Pvap	407.03	kPa	556.72	Calculated Property
Pvap	973.93	kPa	607.14	Calculated Property
Pvap	2027.39	kPa	657.57	Calculated Property
Pvap	3835.23	kPa	708.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1008.30; 317.48]	kg/m3	[254.15; 708.00]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			8.61541e+01
Coefficient B			2.71370e-01
Coefficient C			7.08000e+02
Coefficient D			2.72140e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			254.15
Temperature range, max.			708.00
ρl	1008.30	kg/m3	254.15	Calculated Property
ρl	972.21	kg/m3	304.58	Calculated Property
ρl	934.14	kg/m3	355.01	Calculated Property
ρl	893.63	kg/m3	405.43	Calculated Property
ρl	849.97	kg/m3	455.86	Calculated Property
ρl	802.05	kg/m3	506.29	Calculated Property
ρl	747.99	kg/m3	556.72	Calculated Property
ρl	683.93	kg/m3	607.14	Calculated Property
ρl	599.40	kg/m3	657.57	Calculated Property
ρl	317.48	kg/m3	708.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 1.44e-05]	N/m	[254.15; 704.82]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.75480e-02
Coefficient B			7.98000e+01
Coefficient C			-3.12180e+00
Coefficient D			9.76780e-04
Coefficient E			-3.46610e-06
Comment			ChemSep eq 16, SurfaceTension, ChemSep Tmax 708 K
Temperature range, min.			254.15
Temperature range, max.			704.82
γ	0.04	N/m	254.15	Calculated Property
γ	0.04	N/m	304.22	Calculated Property
γ	0.03	N/m	354.30	Calculated Property
γ	0.03	N/m	404.37	Calculated Property
γ	0.02	N/m	454.45	Calculated Property
γ	0.02	N/m	504.52	Calculated Property
γ	0.01	N/m	554.60	Calculated Property
γ	0.01	N/m	604.67	Calculated Property
γ	0.00	N/m	654.75	Calculated Property
γ	1.44e-05	N/m	704.82	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.01; 0.08]	W/m×K	[254.15; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			1.29730e-04
Coefficient B			9.98140e-01
Coefficient C			6.30800e+02
Coefficient D			2.19620e+04
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			254.15
Temperature range, max.			1000.00
λ	0.01	W/m×K	254.15	Calculated Property
λ	0.01	W/m×K	337.02	Calculated Property
λ	0.02	W/m×K	419.89	Calculated Property
λ	0.03	W/m×K	502.77	Calculated Property
λ	0.04	W/m×K	585.64	Calculated Property
λ	0.04	W/m×K	668.51	Calculated Property
λ	0.05	W/m×K	751.38	Calculated Property
λ	0.06	W/m×K	834.26	Calculated Property
λ	0.07	W/m×K	917.13	Calculated Property
λ	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.18; 0.12]	W/m×K	[254.15; 493.55]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-8.98820e-02
Coefficient B			-7.00610e+00
Coefficient C			-1.07110e+00
Coefficient D			-6.56680e-04
Coefficient E			-5.62900e-07
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			254.15
Temperature range, max.			493.55
λ	0.18	W/m×K	254.15	Calculated Property
λ	0.18	W/m×K	280.75	Calculated Property
λ	0.17	W/m×K	307.35	Calculated Property
λ	0.16	W/m×K	333.95	Calculated Property
λ	0.16	W/m×K	360.55	Calculated Property
λ	0.15	W/m×K	387.15	Calculated Property
λ	0.14	W/m×K	413.75	Calculated Property
λ	0.14	W/m×K	440.35	Calculated Property
λ	0.13	W/m×K	466.95	Calculated Property
λ	0.12	W/m×K	493.55	Calculated Property

Similar Compounds

Find more compounds similar to 1-Piperazineethanamine.

Mixtures

• 1-Piperazineethanamine + Methyldiethanolamine + Water
• 1-Piperazineethanamine + Water
• Piperazine + 1-Piperazineethanamine + Water
• Nitrous oxide + 1-Piperazineethanamine + Water

Sources

• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Equilibrium CO2 solubility and thermophysical properties of aqueous blends of 1-(2-aminoethyl) piperazine and N-methyldiethanolamine
• Vapour pressure and enthalpy of vaporization of aliphatic poly-amines
• Heat capacities of aqueous binary and ternary mixtures (with piperazine) of N-(2-aminoethyl)-piperazine and N,N,N'-trimethylethylenediamine at temperatures (303.2-353.2) K
• Physicochemical Properties of Aqueous Solutions of 2-(1-Piperazinyl)-ethylamine
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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