Chemical Properties of Benzo[f]quinoline (CAS 85-02-9)

InChI

InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H

InChI Key

HCAUQPZEWLULFJ-UHFFFAOYSA-N

Formula

C13H9N

SMILES

c1ccc2c(c1)ccc1ncccc12

Molecular Weight¹

179.22

CAS

85-02-9

Other Names

• 1-Azaphenanthrene
• 5,6-Benzo[f]quinoline
• 5,6-Benzoquinoline
• b-Naphthoquinoline
• «beta»-Naphthoquinoline
• «beta»-Naphthoquinoline

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6552.50 ± 6.20	kJ/mol	NIST
ΔfH°gas	233.70 ± 7.40	kJ/mol	NIST
ΔsubH°	83.10 ± 6.20	kJ/mol	NIST
IE	[8.14; 8.40]	eV
IE	8.14	eV	NIST
IE	8.40 ± 0.10	eV	NIST
IE	8.14 ± 0.02	eV	NIST
log10WS	-3.36		Aq. Sol...
logPoct/wat	3.388		Crippen Calculated Property
McVol	141.330	ml/mol	McGowan Calculated Property
Inp	[306.86; 1840.00]
Inp	1840.00		NIST
Inp	1800.00		NIST
Inp	1807.00		NIST
Inp	306.86		NIST
Inp	307.30		NIST
Inp	308.27		NIST
Inp	306.96		NIST
Inp	307.30		NIST
Inp	307.94		NIST
Inp	309.25		NIST
Inp	307.94		NIST
Inp	1840.00		NIST
Inp	307.94		NIST
Inp	306.86		NIST
Tfus	[364.80; 367.00]	K
Tfus	367.00	K	NIST
Tfus	364.80 ± 2.00	K	NIST

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[485.50; 623.20]	K	[2.90; 96.10]
Tboilr	485.50 ± 2.50	K	2.90	NIST
Tboilr	623.20	K	96.10	NIST
Tboilr	623.00	K	96.10	NIST

Similar Compounds

Find more compounds similar to Benzo[f]quinoline.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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