Chemical Properties of Quinoline, 8-chloro-

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

163.61

Other Names

• 8-Chloroquinoline

• ω : Acentric Factor.
• 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 (1.0) Calculated Property
ΔfH°gas	151.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	62.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	116.670	ml/mol	McGowan Calculated Property
Pc	4722.84	kPa	Relay (1.0-beta) Calculated Property
Inp	[1459.60; 1459.60]
Inp	1459.60		NIST
Inp	1459.60		NIST
Tboil	529.93	K	Relay (1.0) Calculated Property
Tc	828.14	K	Relay (1.0) Calculated Property
Tfus	292.74	K	Relay (1.0) Calculated Property
Vc	0.431	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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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