- 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
- 325.44
- CAS
- 66722-44-9
- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -166.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 274.180 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Tboil | 851.19 | K | Joback Calculated Property |
| Tc | 1047.85 | K | Joback Calculated Property |
| Tfus | 466.73 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
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
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