Chemical Properties of Benzo[f]quinoline, 2-methyl- (CAS 39258-30-5)

InChI

InChI=1S/C14H11N/c1-10-8-13-12-5-3-2-4-11(12)6-7-14(13)15-9-10/h2-9H,1H3

InChI Key

GDYIXQSZWGQBMB-UHFFFAOYSA-N

Formula

C14H11N

SMILES

Cc1cnc2ccc3ccccc3c2c1

Molecular Weight¹

193.24

CAS

39258-30-5

Other Names

• 2-Methylbenzo[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	0.4872		Relay (1.0) Calculated Property
ΔfG°	320.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	230.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	83.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	155.420	ml/mol	McGowan Calculated Property
Pc	3468.46	kPa	Relay (1.0-beta) Calculated Property
Inp	[320.50; 320.50]
Inp	320.50		NIST
Inp	320.50		NIST
Tboil	635.36	K	Relay (1.0) Calculated Property
Tc	913.82	K	Relay (1.0) Calculated Property
Tfus	355.00 ± 3.00	K	NIST
Vc	0.589	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzo[f]quinoline, 2-methyl-.

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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