Chemical Properties of 4-Azapyrene (CAS 194-03-6)

InChI

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

InChI Key

YEELFSTYCPPLQY-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1cc2ccc3cccc4ncc(c1)c2c34

Molecular Weight¹

203.24

CAS

194-03-6

Other Names

• Benzo(lmn)phenanthridine
• Pyrenidine
• Thebenidin-
• Benzo[l.m.n]phenanthridine
• Thebenidine-
• 5-Azapyrene

• 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	0.5327		Relay (... Calculated Property
ΔfG°	349.71	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	304.79	kJ/mol	Relay (... Calculated Property
ΔvapH°	87.27	kJ/mol	Relay (... Calculated Property
IE	7.78	eV	Relay (... Calculated Property
log10WS	-4.68		Relay (... Calculated Property
logPoct/wat	3.979		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Pc	3387.81	kPa	Relay (... Calculated Property ⚠️
Inp	[356.93; 361.78]
Inp	358.76		NIST
Inp	361.20		NIST
Inp	357.94		NIST
Inp	358.53		NIST
Inp	356.93		NIST
Inp	357.94		NIST
Inp	361.78		NIST
Tboil	676.38	K	Relay (... Calculated Property
Tc	999.21	K	Relay (... Calculated Property
Tfus	389.18	K	Relay (... Calculated Property
Vc	0.610	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4-Azapyrene.

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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