Chemical Properties of bis-(2-Picolyl)amine (CAS 1539-42-0)

InChI

InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2

InChI Key

KXZQYLBVMZGIKC-UHFFFAOYSA-N

Formula

C12H13N3

SMILES

c1ccc(CNCc2ccccn2)nc1

Molecular Weight¹

199.25

CAS

1539-42-0

Other Names

• N-(2-pyridylmethyl)pyridine-2-methylamine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.5194		Relay (1.0) Calculated Property
ΔfG°	374.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	267.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-0.63		Relay (1.0) Calculated Property
logPoct/wat	1.766		Crippen Calculated Property
McVol	162.360	ml/mol	McGowan Calculated Property
Pc	3563.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[1854.00; 1854.00]
Inp	1854.00		NIST
Inp	1854.00		NIST
I	2769.00		NIST
Tboil	590.97	K	Relay (1.0) Calculated Property
Tc	848.36	K	Relay (1.0) Calculated Property
Tfus	344.81	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to bis-(2-Picolyl)amine.

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
• McGowan Method
• NIST Webbook

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