Chemical Properties of Naphtho(2,1-f)quinoline (CAS 218-08-6)

InChI

InChI=1S/C17H11N/c1-2-5-13-12(4-1)7-8-15-14(13)9-10-17-16(15)6-3-11-18-17/h1-11H

InChI Key

ZKWHSGRDDNYNAN-UHFFFAOYSA-N

Formula

C17H11N

SMILES

c1ccc2c(c1)ccc1c3cccnc3ccc21

Molecular Weight¹

229.28

CAS

218-08-6

Other Names

• 1-Azachrysene
• Naphtho[2.1-f]quinoline

• 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	0.5301		Relay (1.0) Calculated Property
ΔfG°	404.33	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	313.32	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	178.230	ml/mol	McGowan Calculated Property
Pc	3103.40	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[407.18; 407.18]
Inp	407.18		NIST
Inp	407.18		NIST
Tboil	716.36	K	Relay (1.0) Calculated Property
Tc	1022.13	K	Relay (1.0) Calculated Property
Tfus	435.55	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho(2,1-f)quinoline.

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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