Chemical Properties of Bisoprolol

InChI

InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3

InChI Key

VHYCDWMUTMEGQY-UHFFFAOYSA-N

Formula

C18H31NO4

SMILES

CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1

Molecular Weight¹

325.45

Other Names

• 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)-
• (.+/-.)-1-[[«alpha»-(2-Isopropoxyethoxy)-p-tolyl]oxy]-3-(isopropylamino)-2-propanol
• EMD-33512
• Bisoprolol - from tablet donated by Watson -
• Bisprolol
• 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-
• 1-(p-2-isopropoxyethoxymethylphenoxy)-3-isopropylaminopropan-2-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[877.57; 954.08]	J/mol×K	[851.19; 1047.85]
Cp,gas	877.57	J/mol×K	851.19	Joback Calculated Property
Cp,gas	893.08	J/mol×K	883.97	Joback Calculated Property
Cp,gas	907.47	J/mol×K	916.74	Joback Calculated Property
Cp,gas	920.76	J/mol×K	949.52	Joback Calculated Property
Cp,gas	932.94	J/mol×K	982.30	Joback Calculated Property
Cp,gas	944.05	J/mol×K	1015.08	Joback Calculated Property
Cp,gas	954.08	J/mol×K	1047.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bisoprolol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.