Chemical Properties of Fluvoxamine, acetyl

InChI

InChI=1S/C17H23F3N2O3/c1-13(23)21-10-12-25-22-16(5-3-4-11-24-2)14-6-8-15(9-7-14)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,23)

InChI Key

YSZVMERYCWDAMG-UHFFFAOYSA-N

Formula

C17H23F3N2O3

SMILES

COCCCCC(=NOCCNC(C)=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

360.37

• 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	0.9254		Relay (1.0) Calculated Property
ΔfG°	-519.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1017.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.379		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1363.65	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	648.46	K	Relay (1.0) Calculated Property
Tc	842.97	K	Relay (1.0) Calculated Property
Tfus	365.11	K	Relay (1.0) Calculated Property
Vc	0.938	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fluvoxamine, 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
• Joback Method
• McGowan Method
• NIST Webbook

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