Chemical Properties of PROPRANOLOL BIS(TRIFLUOROACETATE)

PROPRANOLOL BIS(TRIFLUOROACETATE)

InChI
InChI=1S/C20H19F6NO4/c1-12(2)27(17(28)19(21,22)23)10-14(31-18(29)20(24,25)26)11-30-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3
InChI Key
QALUHRIUDJFKPS-UHFFFAOYSA-N
Formula
C20H19F6NO4
SMILES
CC(C)N(CC(COc1cccc2ccccc12)OC(=O)C(F)(F)F)C(=O)C(F)(F)F
Molecular Weight1
451.36
Other Names
  • Propranolol, bis-TFA
  • propranolol, TFA
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Physical Properties

Property Value Unit Source
ΔfusH° 43.43 kJ/mol Joback Calculated Property
log10WS -4.83 Relay (1.0) Calculated Property
logPoct/wat 4.492 Crippen Calculated Property
McVol 284.920 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [891.73; 955.09] J/mol×K [860.94; 1061.72] Show Hide
Cp,gas 891.73 J/mol×K 860.94 Joback Calculated Property
Cp,gas 904.28 J/mol×K 894.40 Joback Calculated Property
Cp,gas 915.91 J/mol×K 927.87 Joback Calculated Property
Cp,gas 926.72 J/mol×K 961.33 Joback Calculated Property
Cp,gas 936.79 J/mol×K 994.79 Joback Calculated Property
Cp,gas 946.22 J/mol×K 1028.26 Joback Calculated Property
Cp,gas 955.09 J/mol×K 1061.72 Joback Calculated Property

Similar Compounds

Oxprenolol, TFA. Propranolol hydroxy, acetylated. Toliprolol, TFA. propranolol, HFB. Alprenolol, N,O-di(trifluoroacetyl)-. Oxprenolol, HFB. Toliprolol, HFB. Atenolol diacetate. 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene. Alprenolol, N,O-di(acetyl)-. Metoprolol, HFB. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane. Alprenolol, N,O-di(heptafluorobutyryl)-. Toliprolol hydroxy, acetylated. Propranolol, N-ethoxycarbonylated, TMS.

Find more compounds similar to PROPRANOLOL BIS(TRIFLUOROACETATE).

Sources

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