Chemical Properties of «alpha»-Naphthoquinoline

InChI

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

InChI Key

JZYMCIPZZLIJKR-UHFFFAOYSA-N

Formula

C17H11N

SMILES

c1ccc2cc3nc4ccccc4cc3cc2c1

Molecular Weight¹

229.28

• 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	0.5418		Relay (1.0) Calculated Property
ΔfG°	376.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	320.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.27	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-6.05		Relay (1.0) Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	178.230	ml/mol	McGowan Calculated Property
Pc	3425.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	706.71	K	Relay (1.0) Calculated Property
Tc	1023.74	K	Relay (1.0) Calculated Property
Tfus	495.60	K	Relay (1.0) Calculated Property
Vc	0.686	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Naphthoquinoline.

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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