Chemical Properties of N,N-DIETHYL-1,3-PROPANEDIAMINE (CAS 104-78-9)

InChI

InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3

InChI Key

QOHMWDJIBGVPIF-UHFFFAOYSA-N

Formula

C7H18N2

SMILES

CCN(CC)CCCN

Molecular Weight¹

130.23

CAS

104-78-9

Other Names

• (N,N-Diethylamino)propylamine
• 1,3-Propanediamine, N,N-diethyl-
• 1,3-Propanediamine, N1,N1-diethyl-
• 1-(Diethylamino)propylamine-3
• 1-amino-3-(diethylamino)propane
• 3-(Diethylamino)-1-propylamine
• 3-(Diethylamino)propylamine
• 3-(N,N-diethylamino)-1-propylamine
• 3-Diethylamino-n-propylamine
• 3-aminopropyldiethylamine
• Diethylaminopropylamine
• Diethylaminotrimethylenamine
• N,N-Diethyl-1,3-diaminopropane
• N,N-Diethylpropylenediamine
• N,N-Diethyltrimethylenediamine
• N,N-diethylpropane-1,3-diamine
• N-(3-Diethylaminopropyl)amine
• N-Diethyltrimethylenediamine
• NSC 7776
• UN 2684
• «gamma»-(Diethylamino)propylamine

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• 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	0.4911		Relay (1.0) Calculated Property
ΔfG°	185.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-123.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.10	kJ/mol	Joback Calculated Property
ΔvapH°	51.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	0.23		Relay (1.0) Calculated Property
logPoct/wat	0.677		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Tboil	[432.20; 442.55]	K
Tboil	432.20	K	NIST
Tboil	441.70	K	NIST
Tboil	442.55	K	NIST
Tc	618.47	K	Relay (1.0) Calculated Property
Tfus	213.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[46.40; 52.40]	kJ/mol	[298.15; 386.00]
ΔvapH	52.40	kJ/mol	298.15	Vapor pressure and enthalpy of vaporization of aliphatic propanediamines
ΔvapH	46.40	kJ/mol	386.00	NIST
Pvap	[0.01; 8.02]	kPa	[263.16; 363.25]
Pvap	0.01	kPa	263.16	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.03	kPa	273.05	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.03	kPa	273.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	0.03	kPa	273.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.08	kPa	283.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.07	kPa	283.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	0.08	kPa	283.27	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.08	kPa	283.27	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.15	kPa	293.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	0.16	kPa	293.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.16	kPa	293.22	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.33	kPa	303.14	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.31	kPa	303.15	Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
Pvap	0.31	kPa	303.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	0.33	kPa	303.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.33	kPa	303.16	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.59	kPa	313.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	0.62	kPa	313.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.59	kPa	313.15	Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
Pvap	0.62	kPa	313.16	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	0.62	kPa	313.18	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	1.05	kPa	323.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	1.11	kPa	323.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	1.05	kPa	323.15	Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
Pvap	1.11	kPa	323.16	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	1.11	kPa	323.16	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	1.81	kPa	333.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	1.92	kPa	333.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	1.81	kPa	333.15	Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
Pvap	1.94	kPa	333.18	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	2.99	kPa	343.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	2.99	kPa	343.15	Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
Pvap	3.20	kPa	343.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	3.23	kPa	343.21	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	4.76	kPa	353.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	5.14	kPa	353.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	5.16	kPa	353.19	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	5.16	kPa	353.19	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	7.35	kPa	363.15	Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
Pvap	8.02	kPa	363.15	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
Pvap	7.96	kPa	363.25	Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.86; 454.46]	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			-7.67500e+00
Coefficient B			8.54640e-01
Coefficient C			-5.13000e-04
Coefficient D			1.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.86	J/mol×K	273.00	Calculated Property
Cp,gas	235.81	J/mol×K	353.78	Calculated Property
Cp,gas	276.73	J/mol×K	434.56	Calculated Property
Cp,gas	313.00	J/mol×K	515.33	Calculated Property
Cp,gas	345.02	J/mol×K	596.11	Calculated Property
Cp,gas	373.15	J/mol×K	676.89	Calculated Property
Cp,gas	397.78	J/mol×K	757.67	Calculated Property
Cp,gas	419.28	J/mol×K	838.44	Calculated Property
Cp,gas	438.05	J/mol×K	919.22	Calculated Property
Cp,gas	454.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 202.63]	kPa	[302.05; 497.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37437e+01
Coefficient B			-3.65186e+03
Coefficient C			-6.39290e+01
Temperature range, min.			302.05
Temperature range, max.			497.01
Pvap	0.20	kPa	302.05	Calculated Property
Pvap	0.73	kPa	323.71	Calculated Property
Pvap	2.16	kPa	345.37	Calculated Property
Pvap	5.45	kPa	367.04	Calculated Property
Pvap	12.17	kPa	388.70	Calculated Property
Pvap	24.59	kPa	410.36	Calculated Property
Pvap	45.73	kPa	432.02	Calculated Property
Pvap	79.37	kPa	453.69	Calculated Property
Pvap	129.98	kPa	475.35	Calculated Property
Pvap	202.63	kPa	497.01	Calculated Property

Similar Compounds

Find more compounds similar to N,N-DIETHYL-1,3-PROPANEDIAMINE.

Mixtures

• N,N-DIETHYL-1,3-PROPANEDIAMINE + Cyclohexane
• N,N-DIETHYL-1,3-PROPANEDIAMINE + Water
• N,N-DIETHYL-1,3-PROPANEDIAMINE + Heptane
• n-Hexane + N,N-DIETHYL-1,3-PROPANEDIAMINE
• N,N-DIETHYL-1,3-PROPANEDIAMINE + Dodecane

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
• Excess properties and vapour pressure of (3-diethylaminopropylamine + n-alkanes)
• Excess properties and vapour pressure of {3-diethylaminopropylamine + cyclohexane}
• Vapor pressure and enthalpy of vaporization of aliphatic propanediamines
• Phase equilibrium measurements and thermodynamic modeling of aqueous solutions of polyamines CO2 absorbents: 3-aminopropylmethylamine, 3-aminopropyldimethylamine and N,N-diethyl 1,3-propanediamine at temperatures from 273 K to 363 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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