Chemical Properties of Nitrazepam M (amino-), hydrolysis, acetylated

InChI

InChI=1S/C17H16N2O3/c1-11(20)18-14-8-9-16(19-12(2)21)15(10-14)17(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)(H,19,21)

InChI Key

OTPSWBRNSBDCMB-UHFFFAOYSA-N

Formula

C17H16N2O3

SMILES

CC(=O)Nc1ccc(NC(C)=O)c(C(=O)c2ccccc2)c1

Molecular Weight¹

296.32

• 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

Property	Value	Unit	Source
ΔfG°	89.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-174.89	kJ/mol	Joback Calculated Property
ΔfusH°	42.09	kJ/mol	Joback Calculated Property
ΔvapH°	92.42	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	2.834		Crippen Calculated Property
McVol	227.540	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[2985.00; 2985.00]
Inp	2985.00		NIST
Inp	2985.00		NIST
Inp	2985.00		NIST
Tboil	913.63	K	Joback Calculated Property
Tc	1154.03	K	Joback Calculated Property
Tfus	614.34	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.93; 722.50]	J/mol×K	[913.63; 1154.03]
Cp,gas	671.93	J/mol×K	913.63	Joback Calculated Property
Cp,gas	682.83	J/mol×K	953.70	Joback Calculated Property
Cp,gas	692.65	J/mol×K	993.76	Joback Calculated Property
Cp,gas	701.45	J/mol×K	1033.83	Joback Calculated Property
Cp,gas	709.31	J/mol×K	1073.90	Joback Calculated Property
Cp,gas	716.31	J/mol×K	1113.97	Joback Calculated Property
Cp,gas	722.50	J/mol×K	1154.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nitrazepam M (amino-), hydrolysis, acetylated.

Sources

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

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