Chemical Properties of 2-Hydroxyethylflurazepam, trimethylsilyl ether

InChI

InChI=1S/C20H22ClFN2O2Si/c1-27(2,3)26-11-10-24-18-9-8-14(21)12-16(18)20(23-13-19(24)25)15-6-4-5-7-17(15)22/h4-9,12H,10-11,13H2,1-3H3

InChI Key

KKSGIGSWBKIJGJ-UHFFFAOYSA-N

Formula

C20H22ClFN2O2Si

SMILES

C[Si](C)(C)OCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21

Molecular Weight¹

404.94

• 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.
• 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	0.7689		Relay (1.0) Calculated Property
ΔfG°	4.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-417.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	108.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.515		Crippen Calculated Property
Pc	1035.65	kPa	Relay (1.0-beta) Calculated Property
Inp	[2701.80; 2701.80]
Inp	2701.80		NIST
Inp	2701.80		NIST
Tboil	714.00	K	Relay (1.0) Calculated Property
Tc	984.81	K	Relay (1.0) Calculated Property
Tfus	381.43	K	Relay (1.0) Calculated Property
Vc	1.062	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxyethylflurazepam, trimethylsilyl ether.

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
• NIST Webbook

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