- InChI
- InChI=1S/C24H43NO2Si/c1-23(2,3)25-17-20(27-28(7,8)24(4,5)6)18-26-22-16-12-11-15-21(22)19-13-9-10-14-19/h11-12,15-16,19-20,25H,9-10,13-14,17-18H2,1-8H3
- InChI Key
- MSACJEKWZUAOJV-UHFFFAOYSA-N
- Formula
- C24H43NO2Si
- SMILES
-
CC(C)(C)NCC(COc1ccccc1C1CCCC1)
O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 405.69
- 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 | 0.7476 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -595.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.502 | Crippen Calculated Property | |
| Pc | 887.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2351.10 | NIST | |
| Tboil | 677.10 | K | Relay (1.0) Calculated Property |
| Tc | 884.61 | K | Relay (1.0) Calculated Property |
| Tfus | 350.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.331 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Penbutolol, 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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