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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [825.33; 897.94] J/mol×K [828.79; 1039.33] Show Hide
Cp,gas 825.33 J/mol×K 828.79 Joback Calculated Property
Cp,gas 840.24 J/mol×K 863.88 Joback Calculated Property
Cp,gas 853.97 J/mol×K 898.97 Joback Calculated Property
Cp,gas 866.56 J/mol×K 934.06 Joback Calculated Property
Cp,gas 878.05 J/mol×K 969.15 Joback Calculated Property
Cp,gas 888.50 J/mol×K 1004.24 Joback Calculated Property
Cp,gas 897.94 J/mol×K 1039.33 Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.