Chemical Properties of N-ISOPROPYL-1,3-PROPANEDIAMINE (CAS 3360-16-5)

InChI

InChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3

InChI Key

KFDIDIIKNMZLRZ-UHFFFAOYSA-N

Formula

C6H16N2

SMILES

CC(C)NCCCN

Molecular Weight¹

116.21

CAS

3360-16-5

Other Names

• 1,3-Propanediamine, N-isopropyl-
• N-Isopropyl-1,3-propylenediamine
• N-Isopropyltrimethylenediamine
• N-isopropylpropane-1,3-diamine

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.01; 402.27]	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			1.03300e+00
Coefficient B			7.17840e-01
Coefficient C			-3.97800e-04
Coefficient D			8.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.01	J/mol×K	273.00	Calculated Property
Cp,gas	208.80	J/mol×K	353.78	Calculated Property
Cp,gas	244.52	J/mol×K	434.56	Calculated Property
Cp,gas	276.43	J/mol×K	515.33	Calculated Property
Cp,gas	304.79	J/mol×K	596.11	Calculated Property
Cp,gas	329.85	J/mol×K	676.89	Calculated Property
Cp,gas	351.87	J/mol×K	757.67	Calculated Property
Cp,gas	371.11	J/mol×K	838.44	Calculated Property
Cp,gas	387.83	J/mol×K	919.22	Calculated Property
Cp,gas	402.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[330.12; 460.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56635e+01
Coefficient B			-4.12072e+03
Coefficient C			-6.21220e+01
Temperature range, min.			330.12
Temperature range, max.			460.18
Pvap	1.33	kPa	330.12	Calculated Property
Pvap	2.93	kPa	344.57	Calculated Property
Pvap	5.96	kPa	359.02	Calculated Property
Pvap	11.34	kPa	373.47	Calculated Property
Pvap	20.40	kPa	387.92	Calculated Property
Pvap	34.91	kPa	402.38	Calculated Property
Pvap	57.18	kPa	416.83	Calculated Property
Pvap	90.10	kPa	431.28	Calculated Property
Pvap	137.21	kPa	445.73	Calculated Property
Pvap	202.65	kPa	460.18	Calculated Property

Similar Compounds

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

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
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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