Chemical Properties of Piperazine, 1-methyl- (CAS 109-01-3)

InChI

InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3

InChI Key

PVOAHINGSUIXLS-UHFFFAOYSA-N

Formula

C5H12N2

SMILES

CN1CCNCC1

Molecular Weight¹

100.16

CAS

109-01-3

Other Names

• 1-Methylpiperazine
• N-Methylpiperazine
• piperazine, N-methyl-

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.3537		Relay (1.0) Calculated Property
ΔfG°	173.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	0.84	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	1.56		Relay (1.0) Calculated Property
logPoct/wat	-0.479		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	4412.44	kPa	Relay (1.0-beta) Calculated Property
Inp	[839.00; 852.00]
Inp	852.00		NIST
Inp	847.00		NIST
Inp	839.00		NIST
I	[1262.00; 1286.00]
I	1266.00		NIST
I	1270.00		NIST
I	1282.00		NIST
I	1274.00		NIST
I	1282.00		NIST
I	1286.00		NIST
I	1262.00		NIST
I	1262.00		NIST
Tboil	[410.65; 411.20]	K
Tboil	411.20	K	NIST
Tboil	410.65 ± 0.30	K	NIST
Tboil	411.15	K	NIST
Tc	617.90	K	Relay (1.0) Calculated Property
Tfus	[266.75; 267.82]	K
Tfus	267.82 ± 0.20	K	NIST
Tfus	266.75	K	NIST
Tfus	266.80 ± 0.60	K	NIST
Vc	0.322	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[213.90; 218.00]	J/mol×K	[298.15; 353.15]
Cp,liquid	213.90	J/mol×K	298.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	214.40	J/mol×K	303.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	215.00	J/mol×K	308.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	215.70	J/mol×K	313.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	216.40	J/mol×K	318.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	216.90	J/mol×K	323.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	217.30	J/mol×K	328.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	217.20	J/mol×K	333.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	215.50	J/mol×K	338.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	216.20	J/mol×K	343.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	217.60	J/mol×K	348.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
Cp,liquid	218.00	J/mol×K	353.15	Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
η	[0.0010640; 0.0021000]	Pa×s	[293.15; 323.15]
η	0.0021000	Pa×s	293.15	Viscosities and densities for binary mixtures of N-methylpiperazine with methanol, ethanol, n-propanol, iso-propanol, n-butanol and iso-butanol at 293.15, 298.15 and 303.15K
η	0.0018410	Pa×s	298.15	Viscosities and densities for binary mixtures of N-methylpiperazine with methanol, ethanol, n-propanol, iso-propanol, n-butanol and iso-butanol at 293.15, 298.15 and 303.15K
η	0.0018540	Pa×s	298.15	Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
η	0.0018560	Pa×s	298.15	Volumetric and Viscous Properties at Several Temperatures for Binary Mixtures of N-Methylpiperazine with Methylcyclohexane or n-Heptane
η	0.0016240	Pa×s	303.15	Viscosities and densities for binary mixtures of N-methylpiperazine with methanol, ethanol, n-propanol, iso-propanol, n-butanol and iso-butanol at 293.15, 298.15 and 303.15K
η	0.0015830	Pa×s	303.15	Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
η	0.0015440	Pa×s	303.15	Volumetric and Viscous Properties at Several Temperatures for Binary Mixtures of N-Methylpiperazine with Methylcyclohexane or n-Heptane
η	0.0014090	Pa×s	308.15	Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
η	0.0012580	Pa×s	313.15	Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
η	0.0012500	Pa×s	313.15	Volumetric and Viscous Properties at Several Temperatures for Binary Mixtures of N-Methylpiperazine with Methylcyclohexane or n-Heptane
η	0.0010640	Pa×s	323.15	Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
ΔvapH	46.70	kJ/mol	296.50	NIST
Pvap	[0.18; 3.12]	kPa	[274.39; 319.47]
Pvap	0.18	kPa	274.39	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.19	kPa	274.99	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.21	kPa	276.72	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.25	kPa	278.91	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.30	kPa	281.27	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.37	kPa	284.39	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.46	kPa	287.23	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.58	kPa	290.75	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.68	kPa	293.21	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.93	kPa	298.15	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.93	kPa	298.20	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.00	kPa	299.32	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.24	kPa	302.86	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.34	kPa	304.25	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.65	kPa	307.75	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.65	kPa	307.83	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.23	kPa	313.21	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.50	kPa	315.32	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.88	kPa	317.91	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	3.12	kPa	319.47	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[310.14; 435.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55432e+01
Coefficient B			-3.88545e+03
Coefficient C			-5.54500e+01
Temperature range, min.			310.14
Temperature range, max.			435.19
Pvap	1.33	kPa	310.14	Calculated Property
Pvap	2.94	kPa	324.03	Calculated Property
Pvap	5.98	kPa	337.93	Calculated Property
Pvap	11.40	kPa	351.82	Calculated Property
Pvap	20.50	kPa	365.72	Calculated Property
Pvap	35.06	kPa	379.61	Calculated Property
Pvap	57.38	kPa	393.51	Calculated Property
Pvap	90.33	kPa	407.40	Calculated Property
Pvap	137.38	kPa	421.30	Calculated Property
Pvap	202.63	kPa	435.19	Calculated Property

Similar Compounds

Find more compounds similar to Piperazine, 1-methyl-.

Mixtures

• Piperazine, 1-methyl- + Methyl Alcohol
• Ethanol + Piperazine, 1-methyl-
• 1-Propanol + Piperazine, 1-methyl-
• Isopropyl Alcohol + Piperazine, 1-methyl-
• Piperazine, 1-methyl- + 1-Butanol
• Piperazine, 1-methyl- + 1-Propanol, 2-methyl-
• Piperazine, 1-methyl- + Water
• Piperazine, 1-methyl- + Cyclohexane, methyl-
• Piperazine, 1-methyl- + Heptane
• Carbon dioxide + Piperazine, 1-methyl- + Water

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Viscosities and densities for binary mixtures of N-methylpiperazine with methanol, ethanol, n-propanol, iso-propanol, n-butanol and iso-butanol at 293.15, 298.15 and 303.15K
• CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2
• Physicochemical properties of {1-methyl piperazine (1) + water (2)} system at T = (298.15 to 343.15) K and atmospheric pressure
• Molar excess enthalpy (Hm E) for systems of aqueous piperazine derivatives
• Thermodynamic study of Binary Mixtures of Tricyclo [5.2.1.0(2.6)] Decane with N-Methylpiperazine or Triethylamine at T = (298.15 to 323.15) K
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Molar Heat Capacity (Cp) of Aqueous Cyclic Amine Solutions from (298.15 to 353.15) K
• High-Pressure Solubility of Carbon Dioxide (CO2) in Aqueous 1-Methyl Piperazine Solution
• Volumetric and Viscous Properties at Several Temperatures for Binary Mixtures of N-Methylpiperazine with Methylcyclohexane or n-Heptane
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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