Chemical Properties of 2-Azapyrene (CAS 193-98-6)

InChI

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

InChI Key

VXNBYQYOFXSMOE-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1cc2ccc3cncc4ccc(c1)c2c34

Molecular Weight¹

203.24

CAS

193-98-6

• 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	0.5291		Relay (1.0) Calculated Property
ΔfG°	359.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	312.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.59	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.979		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Pc	3552.61	kPa	Relay (1.0-beta) Calculated Property
Inp	[362.20; 362.43]
Inp	362.20		NIST
Inp	362.43		NIST
Inp	362.43		NIST
Tboil	686.48	K	Relay (1.0) Calculated Property
Tc	1004.85	K	Relay (1.0) Calculated Property
Tfus	432.99	K	Relay (1.0) Calculated Property
Vc	0.598	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-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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