Chemical Properties of Mecloqualone (CAS 340-57-8)

InChI

InChI=1S/C15H11ClN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3

InChI Key

SFITWQDBYUMAPS-UHFFFAOYSA-N

Formula

C15H11ClN2O

SMILES

Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl

Molecular Weight¹

270.71

CAS

340-57-8

Other Names

• 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-methyl-
• B 208-Tropon
• Casfen
• Mecloqualon
• Nubarene
• 4(3H)-Quinazolinone, 3-(o-chlorophenyl)-2-methyl-
• W 4744
• 3-(2-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
• CHI 8
• 2-Methyl-3-(o-chlorophenyl)-4-quinazolinone
• 2-Methyl-3-(2-chlorophenyl)chinazolon-4
• 3-(o-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
• 3-(o-Chlorophenyl)-2-methyl-4-quinazolone
• B 208
• NSC 142005
• 2-Methyl-3-(o-chlorophenyl)-4-quinazolone

• 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	0.5966		Relay (1.0) Calculated Property
ΔfG°	265.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	80.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.348		Crippen Calculated Property
McVol	193.300	ml/mol	McGowan Calculated Property
Pc	2959.24	kPa	Relay (1.0-beta) Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	661.72	K	Relay (1.0) Calculated Property
Tc	998.28	K	Relay (1.0) Calculated Property
Tfus	418.40	K	Relay (1.0) Calculated Property
Vc	0.712	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Mecloqualone.

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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