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

Benfluorex

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
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Physical Properties

Property Value Unit Source
ΔfusH° 40.43 kJ/mol Joback Calculated Property
log10WS -3.60 Relay (1.0) Calculated Property
logPoct/wat 4.083 Crippen Calculated Property
McVol 253.780 ml/mol McGowan Calculated Property
Pc 1619.37 kPa Joback Calculated Property
Inp [2160.00; 2160.00]   Show Hide
Inp 2160.00 NIST
Inp 2160.00 NIST
Tboil 652.60 K Relay (1.0) Calculated Property
Tfus 357.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [351.92; 827.68] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.15770e+01
Coefficient B1.78002e+00
Coefficient C-1.18336e-03
Coefficient D2.82600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.92 J/mol×K 273.00 Calculated Property
Cp,gas 442.56 J/mol×K 353.78 Calculated Property
Cp,gas 521.67 J/mol×K 434.56 Calculated Property
Cp,gas 590.14 J/mol×K 515.33 Calculated Property
Cp,gas 648.87 J/mol×K 596.11 Calculated Property
Cp,gas 698.75 J/mol×K 676.89 Calculated Property
Cp,gas 740.68 J/mol×K 757.67 Calculated Property
Cp,gas 775.55 J/mol×K 838.44 Calculated Property
Cp,gas 804.25 J/mol×K 919.22 Calculated Property
Cp,gas 827.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phenmetrazine. QUINIDINE, AC. QUINIDINE, M(N-OXIDE), AC. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 5-Methyluridine, 2',3',5'-tris-O-TBDMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Naltrexone. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to Benfluorex.

Sources

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