Chemical Properties of Nordazepam M (hydroxymethoxy-), hydrolysis, acetylated

InChI

InChI=1S/C18H16ClNO5/c1-10(21)20-16-7-4-12(19)8-15(16)18(23)14-6-5-13(24-3)9-17(14)25-11(2)22/h4-9H,1-3H3,(H,20,21)

InChI Key

ZNHUPRBLVNMYTL-UHFFFAOYSA-N

Formula

C18H16ClNO5

SMILES

COc1ccc(C(=O)c2cc(Cl)ccc2NC(C)=O)c(OC(C)=O)c1

Molecular Weight¹

361.78

• ω : Acentric Factor.
• 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).
• 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	0.9084		Relay (1.0) Calculated Property
ΔfG°	-232.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.37	kJ/mol	Joback Calculated Property
ΔvapH°	115.42	kJ/mol	Relay (1.0) Calculated Property
IE	7.80	eV	Relay (1.0) Calculated Property
log10WS	-4.40		Relay (1.0) Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	255.630	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[2990.00; 2990.00]
Inp	2990.00		NIST
Inp	2990.00		NIST
Tboil	683.10	K	Relay (1.0) Calculated Property
Tc	988.39	K	Relay (1.0) Calculated Property
Tfus	391.97	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.03; 776.20]	J/mol×K	[978.57; 1218.68]
Cp,gas	743.03	J/mol×K	978.57	Joback Calculated Property
Cp,gas	751.93	J/mol×K	1018.59	Joback Calculated Property
Cp,gas	759.46	J/mol×K	1058.61	Joback Calculated Property
Cp,gas	765.64	J/mol×K	1098.62	Joback Calculated Property
Cp,gas	770.48	J/mol×K	1138.64	Joback Calculated Property
Cp,gas	773.99	J/mol×K	1178.66	Joback Calculated Property
Cp,gas	776.20	J/mol×K	1218.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nordazepam M (hydroxymethoxy-), hydrolysis, acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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