Chemical Properties of Indeno(1,2,3-ij)isoquinoline (CAS 206-56-4)

InChI

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

InChI Key

XQNXAFHTOWJFTR-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1ccc2c(c1)-c1cccc3ccnc-2c13

Molecular Weight¹

203.24

CAS

206-56-4

Other Names

• 1-Azafluoranthene
• Indeno[1.2.3-ij]isoquinoline

• 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	0.5261		Relay (1.0) Calculated Property
ΔfG°	333.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	311.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Pc	3201.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[347.57; 348.47]
Inp	348.47		NIST
Inp	347.57		NIST
Inp	348.17		NIST
Inp	348.17		NIST
Tboil	661.00	K	NIST
Tc	976.42	K	Relay (1.0) Calculated Property
Tfus	356.00	K	NIST
Vc	0.617	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Indeno(1,2,3-ij)isoquinoline.

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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