Chemical Properties of Hexamethylenimine (CAS 111-49-9)

InChI

InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

InChI Key

ZSIQJIWKELUFRJ-UHFFFAOYSA-N

Formula

C6H13N

SMILES

C1CCCNCC1

Molecular Weight¹

99.17

CAS

111-49-9

Other Names

• 1-Azacycloheptane
• 1H-Azepine, hexahydro-
• AZACYCLOHEPTANE
• Azepan
• Azepine, hexahydro-
• CYCLOHEXAMETHYLENIMINE
• G 0
• HEXAHYDROAZEPINE
• Hexahydro-1H-azepine
• Hexamethyleneimine
• Homopiperidine
• NSC 16236
• Perhydroazepine
• UN 2493

• 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).
• 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×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	0.2930		Relay (1.0) Calculated Property
PAff	956.70	kJ/mol	NIST
BasG	923.50	kJ/mol	NIST
ΔcH°liquid	-4129.70 ± 1.60	kJ/mol	NIST
ΔfG°	107.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-89.30 ± 1.60	kJ/mol	NIST
ΔfusH°	9.55	kJ/mol	Joback Calculated Property
ΔvapH°	44.30	kJ/mol	NIST
IE	[8.41; 8.50]	eV
IE	8.50	eV	NIST
IE	8.41 ± 0.02	eV	NIST
log10WS	0.24		Relay (1.0) Calculated Property
logPoct/wat	1.150		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	4409.10	kPa	Joback Calculated Property
Inp	[864.00; 864.00]
Inp	864.00		NIST
Inp	864.00		NIST
I	1178.00		NIST
Tboil	409.10	K	Relay (1.0) Calculated Property
Tc	621.86	K	Relay (1.0) Calculated Property
Tfus	280.06	K	Relay (1.0) Calculated Property
Vc	0.329	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.71; 257.71]	J/mol×K	[413.72; 637.36]
Cp,gas	172.71	J/mol×K	413.72	Joback Calculated Property
Cp,gas	188.82	J/mol×K	450.99	Joback Calculated Property
Cp,gas	204.13	J/mol×K	488.27	Joback Calculated Property
Cp,gas	218.67	J/mol×K	525.54	Joback Calculated Property
Cp,gas	232.43	J/mol×K	562.81	Joback Calculated Property
Cp,gas	245.44	J/mol×K	600.09	Joback Calculated Property
Cp,gas	257.71	J/mol×K	637.36	Joback Calculated Property
Cp,liquid	205.00	J/mol×K	298.00	NIST
ΔvapH	[37.70; 40.40]	kJ/mol	[361.50; 385.50]
ΔvapH	40.40	kJ/mol	361.50	NIST
ΔvapH	37.70	kJ/mol	385.50	NIST
Pvap	[0.20; 4.04]	kPa	[273.13; 321.20]
Pvap	0.20	kPa	273.13	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.26	kPa	275.30	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.32	kPa	278.30	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.33	kPa	279.54	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.40	kPa	281.00	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.43	kPa	283.73	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.43	kPa	283.74	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.49	kPa	284.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.60	kPa	287.30	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.62	kPa	289.07	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.74	kPa	290.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.90	kPa	293.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	0.81	kPa	293.28	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.05	kPa	296.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	1.09	kPa	298.24	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.52	kPa	302.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	1.41	kPa	302.35	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	1.82	kPa	305.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	1.90	kPa	307.85	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.18	kPa	308.10	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	2.41	kPa	311.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	2.53	kPa	313.17	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.54	kPa	313.17	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	2.52	kPa	313.17	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	3.02	kPa	314.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	3.48	kPa	317.20	Vapour pressure and enthalpy of vaporization of cyclic imines
Pvap	4.04	kPa	321.20	Vapour pressure and enthalpy of vaporization of cyclic imines
ρl	[837.92; 898.81]	kg/m3	[273.16; 341.65]
ρl	898.81	kg/m3	273.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	898.36	kg/m3	273.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	897.92	kg/m3	274.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	897.48	kg/m3	274.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	897.04	kg/m3	275.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	896.60	kg/m3	275.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	896.16	kg/m3	276.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	895.72	kg/m3	276.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	895.28	kg/m3	277.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	894.84	kg/m3	277.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	894.40	kg/m3	278.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	893.96	kg/m3	278.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	893.51	kg/m3	279.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	893.07	kg/m3	279.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	892.63	kg/m3	280.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	892.19	kg/m3	280.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	891.75	kg/m3	281.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	891.31	kg/m3	281.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	890.87	kg/m3	282.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	890.42	kg/m3	282.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	889.98	kg/m3	283.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	889.54	kg/m3	283.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	889.10	kg/m3	284.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	888.66	kg/m3	284.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	888.22	kg/m3	285.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	887.77	kg/m3	285.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	887.33	kg/m3	286.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	886.89	kg/m3	286.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	886.45	kg/m3	287.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	886.00	kg/m3	287.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	885.56	kg/m3	288.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	885.12	kg/m3	288.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	884.68	kg/m3	289.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	884.23	kg/m3	289.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	883.79	kg/m3	290.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	883.35	kg/m3	290.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	882.91	kg/m3	291.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	882.47	kg/m3	291.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	882.03	kg/m3	292.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	881.58	kg/m3	292.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	881.15	kg/m3	293.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	880.71	kg/m3	293.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	880.26	kg/m3	294.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	879.82	kg/m3	294.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	879.38	kg/m3	295.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	878.94	kg/m3	295.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	858.06	kg/m3	319.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	857.61	kg/m3	319.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	857.17	kg/m3	320.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	856.72	kg/m3	320.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	856.28	kg/m3	321.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	855.83	kg/m3	321.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	855.39	kg/m3	322.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	854.94	kg/m3	322.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	854.49	kg/m3	323.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	854.05	kg/m3	323.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	853.60	kg/m3	324.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	853.15	kg/m3	324.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	852.71	kg/m3	325.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	852.26	kg/m3	325.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	851.81	kg/m3	326.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	851.37	kg/m3	326.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	850.92	kg/m3	327.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	850.47	kg/m3	327.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	850.03	kg/m3	328.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	849.58	kg/m3	328.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	849.13	kg/m3	329.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	848.69	kg/m3	329.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	848.24	kg/m3	330.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	847.79	kg/m3	330.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	847.35	kg/m3	331.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	846.90	kg/m3	331.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	846.45	kg/m3	332.15	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	846.00	kg/m3	332.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	845.55	kg/m3	333.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	845.11	kg/m3	333.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	844.66	kg/m3	334.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	844.21	kg/m3	334.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	843.76	kg/m3	335.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	843.31	kg/m3	335.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	842.86	kg/m3	336.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	842.42	kg/m3	336.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	841.96	kg/m3	337.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	841.52	kg/m3	337.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	841.07	kg/m3	338.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	840.62	kg/m3	338.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	840.17	kg/m3	339.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	839.72	kg/m3	339.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	839.27	kg/m3	340.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	838.82	kg/m3	340.66	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	838.37	kg/m3	341.16	Volumetric properties of hexamethyleneimine and of its mixtures with water
ρl	837.92	kg/m3	341.65	Volumetric properties of hexamethyleneimine and of its mixtures with water
λ	[0.13; 0.14]	W/m×K	[273.15; 333.15]
λ	0.14	W/m×K	273.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.14	W/m×K	293.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.13	W/m×K	313.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.13	W/m×K	333.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[304.09; 438.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41849e+01
Coefficient B			-3.28808e+03
Coefficient C			-6.74930e+01
Temperature range, min.			304.09
Temperature range, max.			438.05
Pvap	1.33	kPa	304.09	Calculated Property
Pvap	3.03	kPa	318.97	Calculated Property
Pvap	6.30	kPa	333.86	Calculated Property
Pvap	12.11	kPa	348.74	Calculated Property
Pvap	21.79	kPa	363.63	Calculated Property
Pvap	37.07	kPa	378.51	Calculated Property
Pvap	60.08	kPa	393.40	Calculated Property
Pvap	93.35	kPa	408.28	Calculated Property
Pvap	139.79	kPa	423.17	Calculated Property
Pvap	202.66	kPa	438.05	Calculated Property
Pvap	[6.16e-03; 4345.63]	kPa	[236.15; 615.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.05850e+02
Coefficient B			-9.05725e+03
Coefficient C			-1.33668e+01
Coefficient D			8.17005e-06
Temperature range, min.			236.15
Temperature range, max.			615.00
Pvap	6.16e-03	kPa	236.15	Calculated Property
Pvap	0.27	kPa	278.24	Calculated Property
Pvap	3.66	kPa	320.34	Calculated Property
Pvap	23.69	kPa	362.43	Calculated Property
Pvap	95.65	kPa	404.53	Calculated Property
Pvap	281.59	kPa	446.62	Calculated Property
Pvap	668.41	kPa	488.72	Calculated Property
Pvap	1367.59	kPa	530.81	Calculated Property
Pvap	2525.06	kPa	572.91	Calculated Property
Pvap	4345.63	kPa	615.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexamethylenimine.

Mixtures

• Hexamethylenimine + Water
• Hexamethylenimine + Heptane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of heptane + amine mixtures. V. Excess and solvation Gibbs energies
• Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
• Volumetric properties of hexamethyleneimine and of its mixtures with water
• Vapour pressure and enthalpy of vaporization of cyclic imines
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.