Chemical Properties of N,N,N',N'',N''-pentamethyldiethylenetriamine

InChI

InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3

InChI Key

UKODFQOELJFMII-UHFFFAOYSA-N

Formula

C9H23N3

SMILES

CN(C)CCN(C)CCN(C)C

Molecular Weight¹

173.30

Other Names

• 1,1,4,7,7-pentamethyl-1,4,7-triazaheptane
• 1,1,4,7,7-pentamethyldiethylenetriamine
• N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-1,2-ethanediamine
• N-methyl-N,N-bis(2-dimethylaminoethyl)amine
• N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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
Pvap	[0.03; 2.18]	kPa	[292.98; 362.95]
Pvap	0.03	kPa	292.98	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.03	kPa	292.98	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.06	kPa	303.05	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.06	kPa	303.05	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.12	kPa	312.88	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.24	kPa	323.03	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.24	kPa	323.03	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.24	kPa	323.03	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.44	kPa	333.14	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	0.79	kPa	343.19	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	1.33	kPa	353.06	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	1.34	kPa	353.07	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	2.17	kPa	362.82	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	2.18	kPa	362.92	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
Pvap	2.18	kPa	362.95	Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.93; 597.73]	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			-3.73660e+01
Coefficient B			1.23060e+00
Coefficient C			-8.03600e-04
Coefficient D			2.08100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.93	J/mol×K	273.00	Calculated Property
Cp,gas	306.63	J/mol×K	353.78	Calculated Property
Cp,gas	362.72	J/mol×K	434.56	Calculated Property
Cp,gas	411.87	J/mol×K	515.33	Calculated Property
Cp,gas	454.73	J/mol×K	596.11	Calculated Property
Cp,gas	491.96	J/mol×K	676.89	Calculated Property
Cp,gas	524.22	J/mol×K	757.67	Calculated Property
Cp,gas	552.16	J/mol×K	838.44	Calculated Property
Cp,gas	576.45	J/mol×K	919.22	Calculated Property
Cp,gas	597.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N,N',N'',N''-pentamethyldiethylenetriamine.

Mixtures

• Water + N,N,N',N'',N''-pentamethyldiethylenetriamine

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 molar enthalpies for binary mixtures of different amines with water
• Vapour-liquid equilibria, enthalpy of vaporisation, and excess Gibbs energies of binary mixtures of {3,3-diamino-N-methyldipropylamine (DNM) (or N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA)) + water}
• Joback Method
• McGowan Method

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