Chemical Properties of 1,3-Propanediamine, N,N,N',N'-tetramethyl- (CAS 110-95-2)

InChI

InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3

InChI Key

DMQSHEKGGUOYJS-UHFFFAOYSA-N

Formula

C7H18N2

SMILES

CN(C)CCCN(C)C

Molecular Weight¹

130.23

CAS

110-95-2

Other Names

• (CH3)2N(CH2)3N(CH3)2
• 1,3-Bis(dimethylamino)propane
• Bis[(dimethylamino)methyl]methane
• N,N,N',N'-Tetramethyltrimethylenediamine
• N,N,N',N'-tetramethyl-1,3-diaminopropane
• N,N,N',N'-tetramethyl-1,3-propanediamine
• Propane-1,3-diamine, N,N,N',N'-tetramethyl-
• Tetramethylpropanediamine
• Tetramethyltrimethylenediamine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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

Property	Value	Unit	Source
PAff	1035.20	kJ/mol	NIST
BasG	985.40	kJ/mol	NIST
ΔfH°gas	-57.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.93	kJ/mol	Joback Calculated Property
ΔvapH°	45.69	kJ/mol	Relay (1.0) Calculated Property
IE	[7.60; 7.84]	eV
IE	7.60	eV	NIST
IE	7.84	eV	NIST
logPoct/wat	0.500		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Tboil	[417.20; 418.70]	K
Tboil	418.70	K	NIST
Tboil	417.20	K	NIST
Tfus	191.20 ± 0.60	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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
Cp,gas	[249.85; 325.97]	J/mol×K	[384.44; 545.94]
Cp,gas	249.85	J/mol×K	384.44	Joback Calculated Property
Cp,gas	263.93	J/mol×K	411.36	Joback Calculated Property
Cp,gas	277.44	J/mol×K	438.27	Joback Calculated Property
Cp,gas	290.37	J/mol×K	465.19	Joback Calculated Property
Cp,gas	302.76	J/mol×K	492.11	Joback Calculated Property
Cp,gas	314.62	J/mol×K	519.02	Joback Calculated Property
Cp,gas	325.97	J/mol×K	545.94	Joback Calculated Property
ΔvapH	45.30	kJ/mol	298.15	Vapor pressure and enthalpy of vaporization of aliphatic propanediamines
ρl	[761.40; 774.80]	kg/m3	[303.15; 323.15]
ρl	774.80	kg/m3	303.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	770.90	kg/m3	308.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	767.40	kg/m3	313.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	765.00	kg/m3	318.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
ρl	761.40	kg/m3	323.15	Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.57; 202.62]	kPa	[302.05; 443.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54936e+01
Coefficient B			-3.93231e+03
Coefficient C			-5.71180e+01
Temperature range, min.			302.05
Temperature range, max.			443.31
Pvap	0.57	kPa	302.05	Calculated Property
Pvap	1.50	kPa	317.75	Calculated Property
Pvap	3.54	kPa	333.44	Calculated Property
Pvap	7.60	kPa	349.14	Calculated Property
Pvap	15.10	kPa	364.83	Calculated Property
Pvap	28.07	kPa	380.53	Calculated Property
Pvap	49.28	kPa	396.22	Calculated Property
Pvap	82.31	kPa	411.92	Calculated Property
Pvap	131.63	kPa	427.61	Calculated Property
Pvap	202.62	kPa	443.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediamine, N,N,N',N'-tetramethyl-.

Mixtures

• 1,3-Propanediamine, N,N,N',N'-tetramethyl- + Water
• 1,3-Propanediamine, N,N,N',N'-tetramethyl- + Carbon dioxide + Water

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Mutual diffusion coefficients, density, and viscosity of aqueoussolutions of new polyamine CO2absorbents
• Vapor pressure and enthalpy of vaporization of aliphatic propanediamines
• CO2 Solubility Measurements and Modeling for Tertiary Diamines
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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