- InChI
- InChI=1S/C22H35NO2Si/c1-17(2)23-15-19(25-26(6,7)22(3,4)5)16-24-21-14-10-12-18-11-8-9-13-20(18)21/h8-14,17,19,23H,15-16H2,1-7H3
- InChI Key
- WACGWDSOXLNZOE-UHFFFAOYSA-N
- Formula
- C22H35NO2Si
- SMILES
-
CC(C)NCC(COc1cccc2ccccc12)O[Si
](C)(C)C(C)(C)C - Molecular Weight1
- 373.60
- Other Names
-
- Propranolol, 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 | 0.7347 | Relay (... Calculated Property | |
| ΔfG° | 138.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -434.24 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.24 | kJ/mol | Relay (... Calculated Property |
| IE | 7.43 | eV | Relay (... Calculated Property |
| log10WS | -3.84 | Relay (... Calculated Property | |
| logPoct/wat | 5.607 | Crippen Calculated Property | |
| Pc | 1214.45 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2400.00; 2400.00] |
|
|
| Inp | 2400.00 | NIST | |
| Inp | 2400.00 | NIST | |
| Tboil | 677.42 | K | Relay (... Calculated Property |
| Tc | 896.22 | K | Relay (... Calculated Property |
| Tfus | 349.24 | K | Relay (... Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Propranolol tbdms.
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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