Chemical Properties of 1,4-Phenylenediamine, N,N'-bis((4-pyridyl)methylene)-

InChI

InChI=1S/C18H14N4/c1-2-18(22-14-16-7-11-20-12-8-16)4-3-17(1)21-13-15-5-9-19-10-6-15/h1-14H

InChI Key

PBUIXULEGNITAX-UHFFFAOYSA-N

Formula

C18H14N4

SMILES

C(=Nc1ccc(N=Cc2ccncc2)cc1)c1ccncc1

Molecular Weight¹

286.33

• 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.
• 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	0.6894		Relay (1.0) Calculated Property
ΔfG°	559.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	528.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	117.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	3.978		Crippen Calculated Property
McVol	224.520	ml/mol	McGowan Calculated Property
Pc	4108.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[3061.00; 3061.00]
Inp	3061.00		NIST
Inp	3061.00		NIST
Tboil	706.52	K	Relay (1.0) Calculated Property
Tc	1023.74	K	Relay (1.0) Calculated Property
Tfus	502.38	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Phenylenediamine, N,N'-bis((4-pyridyl)methylene)-.

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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