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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5194		Relay (1.0) Calculated Property
ΔfH°gas	267.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	90.14	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	3552.10	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	848.70	K	Relay (1.0) Calculated Property
Tfus	342.85	K	Relay (1.0) Calculated Property

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.

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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