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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.95	kJ/mol	Joback Calculated Property
IE	7.80	eV	Relay (1.0) Calculated Property
logPoct/wat	3.463		Crippen Calculated Property
McVol	255.630	ml/mol	McGowan Calculated Property
Inp	[2990.00; 2990.00]
Inp	2990.00		NIST
Inp	2990.00		NIST
Tboil	683.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.20; 748.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.32200e+01
Coefficient B			1.22706e+00
Coefficient C			-5.75640e-04
Coefficient D			4.39200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.20	J/mol×K	273.00	Calculated Property
Cp,gas	417.22	J/mol×K	353.78	Calculated Property
Cp,gas	481.35	J/mol×K	434.56	Calculated Property
Cp,gas	538.70	J/mol×K	515.33	Calculated Property
Cp,gas	589.43	J/mol×K	596.11	Calculated Property
Cp,gas	633.68	J/mol×K	676.89	Calculated Property
Cp,gas	671.57	J/mol×K	757.67	Calculated Property
Cp,gas	703.26	J/mol×K	838.44	Calculated Property
Cp,gas	728.88	J/mol×K	919.22	Calculated Property
Cp,gas	748.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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