Chemical Properties of Viloxazine, N-acetyl- (CAS 33585-04-5)

InChI

InChI=1S/C15H21NO4/c1-3-18-14-6-4-5-7-15(14)20-11-13-10-16(12(2)17)8-9-19-13/h4-7,13H,3,8-11H2,1-2H3

InChI Key

BVUHTRYNQIXGLZ-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

CCOc1ccccc1OCC1CN(C(C)=O)CCO1

Molecular Weight¹

279.33

CAS

33585-04-5

Other Names

• Viloxazine, acetylated

• 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	0.6931		Relay (1.0) Calculated Property
ΔfG°	-141.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-563.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-1.07		Relay (1.0) Calculated Property
logPoct/wat	1.711		Crippen Calculated Property
McVol	216.750	ml/mol	McGowan Calculated Property
Pc	1748.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[2219.00; 2219.00]
Inp	2219.00		NIST
Inp	2219.00		NIST
Tboil	647.12	K	Relay (1.0) Calculated Property
Tc	858.86	K	Relay (1.0) Calculated Property
Tfus	346.22	K	Relay (1.0) Calculated Property
Vc	0.799	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Viloxazine, N-acetyl-.

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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