Chemical Properties of Quinoline, 8-chloro- (CAS 611-33-6)

InChI

InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

InChI Key

RUSMDMDNFUYZTM-UHFFFAOYSA-N

Formula

C9H6ClN

SMILES

Clc1cccc2cccnc12

Molecular Weight¹

163.60

CAS

611-33-6

Other Names

• 8-Chloroquinoline

• 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	0.3769		Relay (... Calculated Property
ΔfG°	232.06	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	151.86	kJ/mol	Relay (... Calculated Property
ΔvapH°	63.42	kJ/mol	Relay (... Calculated Property
IE	8.67	eV	Relay (... Calculated Property
log10WS	-2.25		Relay (... Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	116.670	ml/mol	McGowan Calculated Property
Pc	4731.04	kPa	Relay (... Calculated Property ⚠️
Inp	[1459.60; 1459.60]
Inp	1459.60		NIST
Inp	1459.60		NIST
Tboil	529.93	K	Relay (... Calculated Property
Tc	828.53	K	Relay (... Calculated Property
Tfus	293.79	K	Relay (... Calculated Property
Vc	0.433	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Quinoline, 8-chloro-.

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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