Chemical Properties of 1,3-Propanediamine (CAS 109-76-2)

InChI

InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2

InChI Key

XFNJVJPLKCPIBV-UHFFFAOYSA-N

Formula

C3H10N2

SMILES

NCCCN

Molecular Weight¹

74.12

CAS

109-76-2

Other Names

• 1,3-Propylenediamine
• 1,3-diaminopropane
• H2N(CH2)3NH2
• Propane-1,3-diamine
• trimethylenediamine

• 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).
• ρ_l : Liquid Density (kg/m³).
• 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	0.4983		Relay (1.0) Calculated Property
PAff	[970.70; 987.00]	kJ/mol
PAff	987.00	kJ/mol	NIST
PAff	978.00 ± 4.00	kJ/mol	NIST
PAff	970.70	kJ/mol	NIST
PAff	982.40	kJ/mol	NIST
BasG	940.00	kJ/mol	NIST
ΔfG°	107.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-46.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[47.52; 51.30]	kJ/mol
ΔfusH°	51.30	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	50.97	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	50.68	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	50.36	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	50.03	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	49.74	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	49.42	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	49.10	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	48.79	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	48.47	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	48.15	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	47.84	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔfusH°	47.52	kJ/mol	Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
ΔvapH°	[50.16; 50.20]	kJ/mol
ΔvapH°	50.18	kJ/mol	NIST
ΔvapH°	50.20 ± 0.10	kJ/mol	NIST
ΔvapH°	50.16 ± 0.10	kJ/mol	NIST
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	0.40		Relay (1.0) Calculated Property
logPoct/wat	-0.706		Crippen Calculated Property
McVol	73.090	ml/mol	McGowan Calculated Property
Pc	5590.00	kPa	Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
Inp	[720.00; 748.00]
Inp	748.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
I	[1320.00; 1337.00]
I	1330.00		NIST
I	1320.00		NIST
I	1337.00		NIST
I	1330.00		NIST
Tboil	[412.85; 413.20]	K
Tboil	413.20	K	NIST
Tboil	412.90	K	NIST
Tboil	412.85	K	NIST
Tc	622.73	K	Relay (1.0) Calculated Property
Tfus	[249.65; 261.20]	K
Tfus	261.15	K	NIST
Tfus	261.20 ± 0.60	K	NIST
Tfus	249.65 ± 0.50	K	NIST
Vc	0.250	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.26; 191.67]	J/mol×K	[413.10; 612.43]
Cp,gas	148.26	J/mol×K	413.10	Joback Calculated Property
Cp,gas	156.37	J/mol×K	446.32	Joback Calculated Property
Cp,gas	164.11	J/mol×K	479.54	Joback Calculated Property
Cp,gas	171.50	J/mol×K	512.76	Joback Calculated Property
Cp,gas	178.55	J/mol×K	545.99	Joback Calculated Property
Cp,gas	185.27	J/mol×K	579.21	Joback Calculated Property
Cp,gas	191.67	J/mol×K	612.43	Joback Calculated Property
Cp,liquid	[203.05; 209.95]	J/mol×K	[293.15; 353.20]
Cp,liquid	203.05	J/mol×K	293.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.21	J/mol×K	294.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.37	J/mol×K	296.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.53	J/mol×K	297.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.59	J/mol×K	298.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.70	J/mol×K	299.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	203.86	J/mol×K	300.65	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	204.03	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	203.70	J/mol×K	303.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	204.19	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	204.36	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	204.53	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	204.70	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	204.20	J/mol×K	308.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	204.87	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	205.04	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	205.21	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	204.80	J/mol×K	313.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	205.38	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	205.56	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	205.73	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	205.30	J/mol×K	318.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	205.91	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	206.08	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	206.26	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	206.43	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	205.90	J/mol×K	323.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	206.61	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	206.79	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	206.96	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	206.50	J/mol×K	328.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	207.14	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	207.32	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	207.50	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	207.10	J/mol×K	333.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	207.67	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	207.85	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	208.03	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	208.20	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	207.80	J/mol×K	338.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	208.38	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	208.56	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	208.73	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	208.30	J/mol×K	343.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	208.91	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	209.08	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	209.26	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	208.90	J/mol×K	348.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
Cp,liquid	209.43	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	209.60	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	209.78	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	209.95	J/mol×K	353.15	Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
Cp,liquid	209.50	J/mol×K	353.20	Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
ΔfusH	12.19	kJ/mol	262.40	NIST
ΔvapH	40.85	kJ/mol	412.90	NIST
Psub	[4.10e-04; 0.01]	kPa	[233.15; 255.66]
Psub	4.10e-04	kPa	233.15	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	4.10e-04	kPa	233.15	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.50e-04	kPa	238.12	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.50e-04	kPa	238.12	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	9.50e-04	kPa	238.12	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.11e-03	kPa	243.15	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.11e-03	kPa	243.15	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	2.11e-03	kPa	243.15	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	255.66	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	255.66	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Psub	0.01	kPa	255.66	Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
Pvap	[0.32; 19.47]	kPa	[284.84; 364.78]
Pvap	0.32	kPa	284.84	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	0.32	kPa	284.84	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	0.58	kPa	294.82	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	1.83	kPa	314.79	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	3.15	kPa	324.90	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	5.17	kPa	334.87	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	8.26	kPa	344.87	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	12.67	kPa	354.83	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
Pvap	19.47	kPa	364.78	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
ρl	879.81	kg/m3	298.15	Excess enthalpies of binary mixtures of some propylamines + some propanols at 298.15K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[312.49; 437.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56499e+01
Coefficient B			-3.94103e+03
Coefficient C			-5.59500e+01
Temperature range, min.			312.49
Temperature range, max.			437.15
Pvap	1.33	kPa	312.49	Calculated Property
Pvap	2.93	kPa	326.34	Calculated Property
Pvap	5.96	kPa	340.19	Calculated Property
Pvap	11.35	kPa	354.04	Calculated Property
Pvap	20.41	kPa	367.89	Calculated Property
Pvap	34.93	kPa	381.75	Calculated Property
Pvap	57.20	kPa	395.60	Calculated Property
Pvap	90.13	kPa	409.45	Calculated Property
Pvap	137.22	kPa	423.30	Calculated Property
Pvap	202.64	kPa	437.15	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediamine.

Mixtures

• 1,3-Propanediamine + 1-Propanol
• 1,3-Propanediamine + 2-Propanol
• 1,3-Propanediamine + Water
• 1,3-Propanediamine + Piperazine + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
• Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
• Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
• Excess enthalpies of binary mixtures of some propylamines + some propanols at 298.15K
• Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
• Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
• 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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