Chemical Properties of 4-Chloroquinaldine (CAS 4295-06-1)

InChI

InChI=1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3

InChI Key

HQAIROMRVBVWSK-UHFFFAOYSA-N

Formula

C10H8ClN

SMILES

Cc1cc(Cl)c2ccccc2n1

Molecular Weight¹

177.63

CAS

4295-06-1

Other Names

• Quinoline, 4-chloro-2-methyl-
• Quinaldine, 4-chloro-
• 4-Chloro-2-methylquinoline

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4126		Relay (1.0) Calculated Property
ΔfH°gas	109.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	3.197		Crippen Calculated Property
McVol	130.760	ml/mol	McGowan Calculated Property
Pc	4058.97	kPa	Relay (1.0-beta) Calculated Property
Inp	[1432.10; 1432.10]
Inp	1432.10		NIST
Inp	1432.10		NIST
Tboil	542.70	K	NIST
Tc	821.51	K	Relay (1.0) Calculated Property
Tfus	322.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 4-Chloroquinaldine.

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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