Azocine, octahydro-

InChI

InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2

InChI Key

QXNDZONIWRINJR-UHFFFAOYSA-N

Formula

C7H15N

SMILES

C1CCCNCCC1

Molecular Weight¹

113.20

Other Names

Azacyclooctane
Heptamethyleneimine
Heptamethylenimine
Octahydroazocine
Perhydroazocine

ω : Acentric Factor.
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_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).
I_np : Non-polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (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.

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Physical Properties

Property	Value	Unit	Source
ω	0.2887		Relay (1.0) Calculated Property
Δ_fG°	103.73	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-97.77	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	10.04	kJ/mol	Joback Calculated Property
Δ_vapH°	51.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.16		Relay (1.0) Calculated Property
logP_oct/wat	1.540		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
P_c	4021.02	kPa	Joback Calculated Property
I_np	938.00		NIST
T_boil	434.63	K	Relay (1.0) Calculated Property
T_c	659.35	K	Relay (1.0) Calculated Property
T_fus	302.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
V_c	0.381	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	230.00	J/mol×K	298.00	NIST
Δ_vapH	46.50	kJ/mol	293.00	NIST
P_vap	[0.07; 1.97]	kPa	[273.22; 324.90]

P_vap	0.07	kPa	273.22	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.09	kPa	276.10	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.12	kPa	279.40	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.11	kPa	279.60	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.13	kPa	281.30	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.16	kPa	284.11	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.17	kPa	285.20	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.21	kPa	287.87	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.22	kPa	288.30	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.28	kPa	292.10	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.27	kPa	292.30	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.30	kPa	293.35	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.33	kPa	295.20	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.40	kPa	297.82	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.42	kPa	299.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.42	kPa	299.20	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.52	kPa	302.10	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.56	kPa	302.95	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.69	kPa	306.10	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.75	kPa	308.09	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	0.83	kPa	309.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	0.79	kPa	309.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	1.02	kPa	313.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	1.01	kPa	313.50	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
P_vap	1.31	kPa	317.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	1.44	kPa	319.80	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	1.58	kPa	322.00	Vapour pressure and enthalpy of vaporization of cyclic imines
P_vap	1.97	kPa	324.90	Vapour pressure and enthalpy of vaporization of cyclic imines

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	325.20	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[120.92; 393.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-6.83400e+01
Coefficient B			7.84800e-01
Coefficient C			-3.40000e-04
Coefficient D			1.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	120.92	J/mol×K	273.00	Calculated Property
C_p,gas	167.51	J/mol×K	353.78	Calculated Property
C_p,gas	209.91	J/mol×K	434.56	Calculated Property
C_p,gas	248.15	J/mol×K	515.33	Calculated Property
C_p,gas	282.31	J/mol×K	596.11	Calculated Property
C_p,gas	312.44	J/mol×K	676.89	Calculated Property
C_p,gas	338.58	J/mol×K	757.67	Calculated Property
C_p,gas	360.79	J/mol×K	838.44	Calculated Property
C_p,gas	379.14	J/mol×K	919.22	Calculated Property
C_p,gas	393.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Azocine, octahydro-.

Mixtures

Azocine, octahydro- + Heptane

Sources

Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
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
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
Joback Method
McGowan Method
NIST Webbook

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Chemical Properties of Azocine, octahydro-