Chemical Properties of Naphtho(2,3-h)quinoline (CAS 84-56-0)

InChI

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

InChI Key

JKJNHQJWGCHSHP-UHFFFAOYSA-N

Formula

C17H11N

SMILES

c1ccc2cc3c(ccc4cccnc43)cc2c1

Molecular Weight¹

229.28

CAS

84-56-0

Other Names

• 1-Azabenz(a)anthracene

• ω : Acentric Factor.
• 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	0.5382		Relay (1.0) Calculated Property
ΔfH°gas	322.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.42	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-5.37		Relay (1.0) Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	178.230	ml/mol	McGowan Calculated Property
Pc	3179.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[400.00; 400.00]
Inp	400.00		NIST
Inp	400.00		NIST
Tboil	721.67	K	Relay (1.0) Calculated Property
Tc	1026.31	K	Relay (1.0) Calculated Property
Tfus	450.89	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Naphtho(2,3-h)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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