Chemical Properties of 2-Azafluoranthene

InChI

InChI=1S/C15H9N/c1-2-6-12-11(5-1)13-7-3-4-10-8-16-9-14(12)15(10)13/h1-9H

InChI Key

AZEXTOPKZARAGZ-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1ccc2c(c1)-c1cccc3cncc-2c13

Molecular Weight¹

203.24

• 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	0.5205		Relay (1.0) Calculated Property
ΔfG°	343.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	340.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Pc	3316.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[346.74; 347.39]
Inp	347.15		NIST
Inp	346.74		NIST
Inp	347.39		NIST
Inp	347.39		NIST
Tboil	673.89	K	Relay (1.0) Calculated Property
Tc	988.89	K	Relay (1.0) Calculated Property
Tfus	379.44	K	Relay (1.0) Calculated Property
Vc	0.610	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Azafluoranthene.

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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