Chemical Properties of 3,3'-Iminobispropylamine (CAS 56-18-8)

InChI

InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2

InChI Key

OTBHHUPVCYLGQO-UHFFFAOYSA-N

Formula

C6H17N3

SMILES

NCCCNCCCN

Molecular Weight¹

131.22

CAS

56-18-8

Other Names

• 1,3-Propanediamine, N-(3-aminopropyl)-
• 1,3-Propanediamine, N1-(3-aminopropyl)-
• 1,7-Diamino-4-azaheptane
• 1-Propanamine, 3,3'-iminobis-
• 3,3'-Iminodi(propylamine)
• 3,3'-Iminopropylamine
• 3,3'-diaminodipropylamine
• 3,3-Diaminodipropylamine
• 4-Azaheptamethylenediamine
• 4-Azaheptane-1,7-diamine
• Aminobis(propylamine)
• Caldine
• Dipropylamine, 3,3'-diamino-
• Dipropylene triamine
• Dipropylentriamin
• Imino-bis(3-propylamine)
• Iminobis(propylamine)
• N-(3-Aminopropyl)-1,3-propanediamine
• N-3-Aminopropyl-1,3-diaminopropane
• NSC 7773
• Norspermidine
• P 2 (hardener)
• Propylamine, 3,3'-iminobis-
• UN 2269
• bis(3-aminopropyl)amine
• dipropylamine, 3,3'-diamino
• imino-bis-propylamine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I : 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6427		Relay (1.0) Calculated Property
ΔfH°gas	-84.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.79	kJ/mol	Joback Calculated Property
ΔvapH°	66.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	0.06		Relay (1.0) Calculated Property
logPoct/wat	-0.726		Crippen Calculated Property
McVol	125.340	ml/mol	McGowan Calculated Property
Pc	3598.56	kPa	Joback Calculated Property
I	[1930.00; 1960.00]
I	1960.00		NIST
I	1948.00		NIST
I	1930.00		NIST
I	1948.00		NIST
Tboil	513.75	K	NIST
Tc	704.84	K	Relay (1.0) Calculated Property
Tfus	[258.37; 268.15]	K
Tfus	267.05	K	NIST
Tfus	267.10 ± 0.60	K	NIST
Tfus	258.37 ± 0.35	K	NIST
Tfus	258.60 ± 0.25	K	NIST
Tfus	267.93 ± 0.30	K	NIST
Tfus	268.15 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.90; 375.83]	J/mol×K	[532.11; 726.80]
Cp,gas	310.90	J/mol×K	532.11	Joback Calculated Property
Cp,gas	323.14	J/mol×K	564.56	Joback Calculated Property
Cp,gas	334.78	J/mol×K	597.01	Joback Calculated Property
Cp,gas	345.86	J/mol×K	629.46	Joback Calculated Property
Cp,gas	356.37	J/mol×K	661.90	Joback Calculated Property
Cp,gas	366.36	J/mol×K	694.35	Joback Calculated Property
Cp,gas	375.83	J/mol×K	726.80	Joback Calculated Property
ρl	[906.97; 927.36]	kg/m3	[298.00; 323.00]
ρl	927.36	kg/m3	298.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
ρl	923.34	kg/m3	303.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
ρl	919.32	kg/m3	308.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
ρl	915.28	kg/m3	313.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
ρl	911.18	kg/m3	318.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
ρl	906.97	kg/m3	323.00	Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3,3'-Iminobispropylamine.

Mixtures

• 3,3'-Iminobispropylamine + Water
• 3,3'-Iminobispropylamine + Methyldiethanolamine + Water
• Nitrous oxide + 3,3'-Iminobispropylamine + Water
• Nitrous oxide + 3,3'-Iminobispropylamine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Excess molar enthalpies for binary mixtures of different amines with water
• Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture
• Joback Method
• McGowan Method
• NIST Webbook

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