Chemical Properties of S(-)-Cathinone, N-acetyl-

InChI

InChI=1S/C11H13NO2/c1-8(12-9(2)13)11(14)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)

InChI Key

XFOFGOGCAHRANZ-UHFFFAOYSA-N

Formula

C11H13NO2

SMILES

CC(O)=NC(C)C(=O)c1ccccc1

Molecular Weight¹

191.23

Other Names

• Acetamide, N-(1-benzoylethyl)

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-231.50	kJ/mol	Joback Calculated Property
ΔvapH°	68.79	kJ/mol	Joback Calculated Property
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.234		Crippen Calculated Property
McVol	155.210	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		NIST
Tboil	699.93	K	Joback Calculated Property
Tc	918.09	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to S(-)-Cathinone, N-acetyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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