Chemical Properties of Benfluorex (CAS 23602-78-0)

InChI

InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3

InChI Key

CJAVTWRYCDNHSM-UHFFFAOYSA-N

Formula

C19H20F3NO2

SMILES

CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1

Molecular Weight¹

351.36

CAS

23602-78-0

Other Names

• Ethanol, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, benzoate
• Ethanol, 2-(«alpha»-methyl-m-trifluoromethylphenethylamino)-, benzoate
• N-(2-Hydroxyethyl)-«alpha»-methyl-m-trifluoromethylphenethylamine benzoate
• 2-(«alpha»-Methyl-m-trifluoromethylphenethylamino)ethanol benzoate
• Phenethylamine, N-(2-hydroxyethyl)-«alpha»-methyl-m-trifluoromethyl-, benzoate
• 2-[[«alpha»-Methyl-m-(trifluoromethyl)phenethyl]amino]ethanol benzoate (ester)
• Minolip
• S-780
• SE-780
• Benfluramate
• N-(2-Benzoyloxyethyl)norfenfluramine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfG°	-404.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.59	kJ/mol	Joback Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	74.56	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.083		Crippen Calculated Property
McVol	253.780	ml/mol	McGowan Calculated Property
Pc	1674.16	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	813.06	K	Joback Calculated Property
Tc	1025.30	K	Joback Calculated Property
Tfus	483.26	K	Joback Calculated Property
Vc	0.980	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.74; 833.84]	J/mol×K	[813.06; 1025.30]
Cp,gas	762.74	J/mol×K	813.06	Joback Calculated Property
Cp,gas	777.13	J/mol×K	848.43	Joback Calculated Property
Cp,gas	790.41	J/mol×K	883.81	Joback Calculated Property
Cp,gas	802.65	J/mol×K	919.18	Joback Calculated Property
Cp,gas	813.92	J/mol×K	954.55	Joback Calculated Property
Cp,gas	824.29	J/mol×K	989.93	Joback Calculated Property
Cp,gas	833.84	J/mol×K	1025.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benfluorex.

Sources

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

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