Chemical Properties of Bupranolol, acetylated

Bupranolol, acetylated

InChI
InChI=1S/C18H26ClNO4/c1-12-7-8-16(19)17(9-12)23-11-15(24-14(3)22)10-20(13(2)21)18(4,5)6/h7-9,15H,10-11H2,1-6H3
InChI Key
WNAOOIQGLFGOIG-UHFFFAOYSA-N
Formula
C18H26ClNO4
SMILES
CC(=O)OC(COc1cc(C)ccc1Cl)CN(C(C)=O)C(C)(C)C
Molecular Weight1
355.86
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Physical Properties

Property Value Unit Source
ΔfusH° 39.08 kJ/mol Joback Calculated Property
logPoct/wat 3.606 Crippen Calculated Property
McVol 277.820 ml/mol McGowan Calculated Property
Inp 2370.00 NIST

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, Log10 of Water solubility in mol/l 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 [394.98; 887.29] 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 A1.55320e+01
Coefficient B1.63242e+00
Coefficient C-9.36220e-04
Coefficient D1.75560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 394.98 J/mol×K 273.00 Calculated Property
Cp,gas 483.64 J/mol×K 353.78 Calculated Property
Cp,gas 562.52 J/mol×K 434.56 Calculated Property
Cp,gas 632.17 J/mol×K 515.33 Calculated Property
Cp,gas 693.14 J/mol×K 596.11 Calculated Property
Cp,gas 745.99 J/mol×K 676.89 Calculated Property
Cp,gas 791.28 J/mol×K 757.67 Calculated Property
Cp,gas 829.55 J/mol×K 838.44 Calculated Property
Cp,gas 861.37 J/mol×K 919.22 Calculated Property
Cp,gas 887.29 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bupranolol, hydroxy, acetylated. Bunitrolol, acetylated. Toliprolol, TFA. Toliprolol, HFB. Bunitrolol hydroxy, methoxy, acetylated. Toliprolol hydroxy, acetylated. Bunitrolol hydroxy, acetylated. Alprenolol, N,O-di(acetyl)-. 2-Acetoxy-3-(2-cyclopentylphenoxy)propylamine, N-acetyl-N-tert butyl-. Atenolol diacetate. Penbutolol hydroxy, acetylated. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-(4-acetoxy-2-allylphenoxy)propane. Metipranolol, desacetyl, acetylated. Alprenolol, N,O-di(heptafluorobutyryl)-. 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene.

Find more compounds similar to Bupranolol, acetylated.

Sources

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