Chemical Properties of Viloxazine M(HO), acetylated

InChI

InChI=1S/C17H23NO6/c1-4-21-17-9-14(24-13(3)20)5-6-16(17)23-11-15-10-18(12(2)19)7-8-22-15/h5-6,9,15H,4,7-8,10-11H2,1-3H3

InChI Key

HSEMWPGRGUDTAI-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

CCOc1cc(OC(C)=O)ccc1OCC1CN(C(C)=O)CCO1

Molecular Weight¹

337.37

• 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	0.8599		Relay (1.0) Calculated Property
ΔfG°	-412.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-936.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-1.62		Relay (1.0) Calculated Property
logPoct/wat	1.637		Crippen Calculated Property
McVol	252.370	ml/mol	McGowan Calculated Property
Pc	1420.37	kPa	Relay (1.0-beta) Calculated Property
Inp	[2610.00; 2610.00]
Inp	2610.00		NIST
Inp	2610.00		NIST
Tboil	674.20	K	Relay (1.0) Calculated Property
Tc	887.90	K	Relay (1.0) Calculated Property
Tfus	363.31	K	Relay (1.0) Calculated Property
Vc	0.935	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Viloxazine M(HO), 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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