Chemical Properties of Naphtho(2,1,8-def)quinoline (CAS 313-80-4)

InChI

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

InChI Key

QHADMMAFBAZFTE-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1cc2ccc3ccnc4ccc(c1)c2c34

Molecular Weight¹

203.24

CAS

313-80-4

Other Names

• 1-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	0.5313		Relay (1.0) Calculated Property
ΔfG°	349.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	297.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.979		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Pc	3353.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[357.73; 358.18]
Inp	358.18		NIST
Inp	357.73		NIST
Inp	357.73		NIST
Inp	358.18		NIST
Tboil	673.80	K	Relay (1.0) Calculated Property
Tc	994.37	K	Relay (1.0) Calculated Property
Tfus	397.08	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Naphtho(2,1,8-def)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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