Chemical Properties of oxazolam, acetylated

InChI

InChI=1S/C20H19ClN2O3/c1-13-11-22-12-19(25)23(14(2)24)18-9-8-16(21)10-17(18)20(22,26-13)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3/t13-,20+/m1/s1

InChI Key

WGSDUCDAKBJSJF-XCLFUZPHSA-N

Formula

C20H19ClN2O3

SMILES

CC(=O)N1C(=O)CN2CC(C)OC2(c2ccccc2)c2cc(Cl)ccc21

Molecular Weight¹

370.83

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6842		Relay (1.0) Calculated Property
ΔfG°	65.98	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-252.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	3.155		Crippen Calculated Property
McVol	264.630	ml/mol	McGowan Calculated Property
Pc	1536.25	kPa	Relay (1.0-beta) Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	692.82	K	Relay (1.0) Calculated Property
Tc	1025.16	K	Relay (1.0) Calculated Property
Tfus	418.61	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to oxazolam, 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
• McGowan Method
• NIST Webbook

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