Chemical Properties of bis-desalkyl-metaclazepam

InChI

InChI=1S/C16H14BrClN2O/c17-10-5-6-15-13(7-10)16(19-8-11(9-21)20-15)12-3-1-2-4-14(12)18/h1-7,11,20-21H,8-9H2

InChI Key

AMTVRNWGMLPECY-UHFFFAOYSA-N

Formula

C16H14BrClN2O

SMILES

OCC1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1

Molecular Weight¹

365.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.93; 701.75]	J/mol×K	[951.22; 1212.00]
Cp,gas	657.93	J/mol×K	951.22	Joback Calculated Property
Cp,gas	668.27	J/mol×K	994.68	Joback Calculated Property
Cp,gas	677.30	J/mol×K	1038.15	Joback Calculated Property
Cp,gas	685.10	J/mol×K	1081.61	Joback Calculated Property
Cp,gas	691.73	J/mol×K	1125.07	Joback Calculated Property
Cp,gas	697.26	J/mol×K	1168.53	Joback Calculated Property
Cp,gas	701.75	J/mol×K	1212.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to bis-desalkyl-metaclazepam.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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