- InChI
- InChI=1S/C21H37NO2Si/c1-9-12-18-13-10-11-14-20(18)23-16-19(15-22-17(2)3)24-25(7,8)21(4,5)6/h9-11,13-14,17,19,22H,1,12,15-16H2,2-8H3
- InChI Key
- VRQHRSXIGWWRJE-UHFFFAOYSA-N
- Formula
- C21H37NO2Si
- SMILES
-
C=CCc1ccccc1OCC(CNC(C)C)O[Si](
C)(C)C(C)(C)C - Molecular Weight1
- 363.61
- Other Names
-
- Alprenolol, TBDMS
- Alprenolol, tbdms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.6875 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -497.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.182 | Crippen Calculated Property | |
| Pc | 1161.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2069.70; 2084.10] |
|
|
| Inp | 2069.70 | NIST | |
| Inp | 2084.10 | NIST | |
| Inp | 2069.70 | NIST | |
| Inp | 2084.10 | NIST | |
| Tboil | 643.90 | K | Relay (1.0) Calculated Property |
| Tc | 823.18 | K | Relay (1.0) Calculated Property |
| Tfus | 323.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Alprenolol, tert-butyldimethylsilyl ether.
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
- NIST Webbook
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