Chemical Properties of Paroxetine, N-trimethylsilyl-

InChI

InChI=1S/C22H28FNO3Si/c1-28(2,3)24-11-10-20(16-4-6-18(23)7-5-16)17(13-24)14-25-19-8-9-21-22(12-19)27-15-26-21/h4-9,12,17,20H,10-11,13-15H2,1-3H3

InChI Key

UQSBUKRSOQHENP-UHFFFAOYSA-N

Formula

C22H28FNO3Si

SMILES

C[Si](C)(C)N1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1

Molecular Weight¹

401.55

• 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	0.7105		Relay (1.0) Calculated Property
ΔfG°	-23.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-591.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.18	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	4.874		Crippen Calculated Property
Pc	836.12	kPa	Relay (1.0-beta) Calculated Property
Inp	[2672.60; 2672.60]
Inp	2672.60		NIST
Inp	2672.60		NIST
Tboil	707.08	K	Relay (1.0) Calculated Property
Tc	963.90	K	Relay (1.0) Calculated Property
Tfus	372.16	K	Relay (1.0) Calculated Property
Vc	1.132	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Paroxetine, N-trimethylsilyl-.

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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