Chemical Properties of Clobazam M (norhydroxy-), hydrolysis, acetlyated

InChI

InChI=1S/C18H17ClN2O4/c1-11(22)20-17-9-4-14(19)10-18(17)21(12(2)23)15-5-7-16(8-6-15)25-13(3)24/h4-10H,1-3H3,(H,20,22)

InChI Key

VHYKZAOYNAVBFY-UHFFFAOYSA-N

Formula

C18H17ClN2O4

SMILES

CC(=O)Nc1ccc(Cl)cc1N(C(C)=O)c1ccc(OC(C)=O)cc1

Molecular Weight¹

360.79

• 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	0.8960		Relay (1.0) Calculated Property
ΔfG°	-6.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.59	kJ/mol	Joback Calculated Property
ΔvapH°	114.18	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	3.908		Crippen Calculated Property
McVol	259.740	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tboil	671.66	K	Relay (1.0) Calculated Property
Tc	1008.09	K	Relay (1.0) Calculated Property
Tfus	427.75	K	Relay (1.0) Calculated Property
Vc	0.917	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.39; 804.83]	J/mol×K	[963.61; 1202.21]
Cp,gas	761.39	J/mol×K	963.61	Joback Calculated Property
Cp,gas	771.34	J/mol×K	1003.38	Joback Calculated Property
Cp,gas	780.12	J/mol×K	1043.14	Joback Calculated Property
Cp,gas	787.81	J/mol×K	1082.91	Joback Calculated Property
Cp,gas	794.45	J/mol×K	1122.68	Joback Calculated Property
Cp,gas	800.10	J/mol×K	1162.45	Joback Calculated Property
Cp,gas	804.83	J/mol×K	1202.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Clobazam M (norhydroxy-), hydrolysis, acetlyated.

Sources

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

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