Chemical Properties of 2,4-Dimethyl-3,5-di(4-methoxyphenyl)pyridine

InChI

InChI=1S/C21H21NO2/c1-14-20(16-5-9-18(23-3)10-6-16)13-22-15(2)21(14)17-7-11-19(24-4)12-8-17/h5-13H,1-4H3

InChI Key

OOHLKKHQGOJSQI-UHFFFAOYSA-N

Formula

C21H21NO2

SMILES

COc1ccc(-c2cnc(C)c(-c3ccc(OC)cc3)c2C)cc1

Molecular Weight¹

319.40

Other Names

• 2,4-Dimethyl-3,5-di-(40-methoxyphenyl)pyridine

• 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	0.7460		Relay (1.0) Calculated Property
ΔfG°	207.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-11.73	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.58	kJ/mol	Relay (1.0) Calculated Property
IE	7.49	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	5.050		Crippen Calculated Property
McVol	257.190	ml/mol	McGowan Calculated Property
Pc	1614.06	kPa	Relay (1.0-beta) Calculated Property
Inp	[2711.00; 2711.00]
Inp	2711.00		NIST
Inp	2711.00		NIST
Tboil	715.80	K	Relay (1.0) Calculated Property
Tc	990.91	K	Relay (1.0) Calculated Property
Tfus	406.65	K	Relay (1.0) Calculated Property
Vc	0.935	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethyl-3,5-di(4-methoxyphenyl)pyridine.

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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