Chemical Properties of H2N(CH2)7NH2 (CAS 646-19-5)

InChI

InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2

InChI Key

PWSKHLMYTZNYKO-UHFFFAOYSA-N

Formula

C7H18N2

SMILES

NCCCCCCCN

Molecular Weight¹

130.23

CAS

646-19-5

Other Names

• 1,7-Heptamethylenediamine
• 1,7-diaminoheptane
• 1,7-heptanediamine
• heptamethylenediamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_sub : Sublimation 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	0.6279		Relay (1.0) Calculated Property
PAff	998.50	kJ/mol	NIST
BasG	[922.00; 944.90]	kJ/mol
BasG	944.90	kJ/mol	NIST
BasG	922.00 ± 3.00	kJ/mol	NIST
ΔfG°	140.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[61.27; 66.33]	kJ/mol
ΔfusH°	66.33	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.10	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	66.09	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.63	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.42	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	65.15	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.74	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.66	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.66	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.18	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	64.06	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	63.69	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	63.38	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	63.21	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	63.04	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	62.73	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	62.71	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	62.36	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	62.24	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	62.03	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.75	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.69	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.35	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	61.27	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔvapH°	65.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-1.82		Relay (1.0) Calculated Property
logPoct/wat	0.854		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	3170.40	kPa	Joback Calculated Property
Inp	[1168.00; 1168.00]
Inp	1168.00		NIST
Inp	1168.00		NIST
I	1744.00		NIST
Tboil	497.20	K	NIST
Tc	691.68	K	Relay (1.0) Calculated Property
Tfus	316.11	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[332.76; 341.76]	J/mol×K	[302.15; 353.15]
Cp,liquid	332.76	J/mol×K	302.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	332.93	J/mol×K	303.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	333.11	J/mol×K	305.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	333.29	J/mol×K	306.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	333.48	J/mol×K	308.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	333.67	J/mol×K	309.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	333.86	J/mol×K	311.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	334.06	J/mol×K	312.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	334.27	J/mol×K	314.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	334.48	J/mol×K	315.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	334.70	J/mol×K	317.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	334.92	J/mol×K	318.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	335.15	J/mol×K	320.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	335.38	J/mol×K	321.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	335.62	J/mol×K	323.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	335.87	J/mol×K	324.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	336.12	J/mol×K	326.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	336.38	J/mol×K	327.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	336.64	J/mol×K	329.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	336.91	J/mol×K	330.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	337.18	J/mol×K	332.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	337.47	J/mol×K	333.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	337.76	J/mol×K	335.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	338.05	J/mol×K	336.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	338.35	J/mol×K	338.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	338.66	J/mol×K	339.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	338.98	J/mol×K	341.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	339.30	J/mol×K	342.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	339.63	J/mol×K	344.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	339.97	J/mol×K	345.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	340.31	J/mol×K	347.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	340.66	J/mol×K	348.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	341.02	J/mol×K	350.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	341.39	J/mol×K	351.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	341.76	J/mol×K	353.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
ΔfusH	36.95	kJ/mol	298.50	NIST
ΔvapH	46.50	kJ/mol	293.00	NIST
Psub	[2.20e-04; 7.87e-03]	kPa	[273.48; 298.49]
Psub	2.20e-04	kPa	273.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.20e-04	kPa	273.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.20e-04	kPa	273.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.30e-04	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.30e-04	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.30e-04	kPa	278.48	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	8.70e-04	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	8.70e-04	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	8.60e-04	kPa	283.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.79e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.79e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	1.78e-03	kPa	288.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.61e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.62e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.61e-03	kPa	290.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.81e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.82e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.82e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	3.81e-03	kPa	293.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.49e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.48e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	5.48e-03	kPa	295.99	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.85e-03	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.86e-03	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	7.87e-03	kPa	298.49	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.73; 452.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.50700e+00
Coefficient B			7.92600e-01
Coefficient C			-4.43800e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.73	J/mol×K	273.00	Calculated Property
Cp,gas	238.53	J/mol×K	353.78	Calculated Property
Cp,gas	277.85	J/mol×K	434.56	Calculated Property
Cp,gas	312.98	J/mol×K	515.33	Calculated Property
Cp,gas	344.21	J/mol×K	596.11	Calculated Property
Cp,gas	371.85	J/mol×K	676.89	Calculated Property
Cp,gas	396.19	J/mol×K	757.67	Calculated Property
Cp,gas	417.54	J/mol×K	838.44	Calculated Property
Cp,gas	436.17	J/mol×K	919.22	Calculated Property
Cp,gas	452.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[379.72; 525.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56908e+01
Coefficient B			-4.62653e+03
Coefficient C			-7.93580e+01
Temperature range, min.			379.72
Temperature range, max.			525.10
Pvap	1.33	kPa	379.72	Calculated Property
Pvap	2.93	kPa	395.87	Calculated Property
Pvap	5.95	kPa	412.03	Calculated Property
Pvap	11.33	kPa	428.18	Calculated Property
Pvap	20.38	kPa	444.33	Calculated Property
Pvap	34.87	kPa	460.49	Calculated Property
Pvap	57.13	kPa	476.64	Calculated Property
Pvap	90.05	kPa	492.79	Calculated Property
Pvap	137.15	kPa	508.95	Calculated Property
Pvap	202.63	kPa	525.10	Calculated Property

Similar Compounds

Find more compounds similar to H2N(CH2)7NH2.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
• Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
• Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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