Chemical Properties of N-Desmethyl-Zopiclone

InChI

InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2

InChI Key

CGSFZSTXVVJLIX-UHFFFAOYSA-N

Formula

C16H15ClN6O3

SMILES

O=C(OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1

Molecular Weight¹

374.78

• 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	0.8360		Relay (1.0) Calculated Property
ΔfG°	205.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-158.31	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	133.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	1.226		Crippen Calculated Property
McVol	248.190	ml/mol	McGowan Calculated Property
Pc	2092.83	kPa	Relay (1.0-beta) Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	698.50	K	Relay (1.0) Calculated Property
Tc	1127.33	K	Relay (1.0) Calculated Property
Tfus	451.44	K	Relay (1.0) Calculated Property
Vc	0.916	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-Desmethyl-Zopiclone.

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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