- InChI
- InChI=1S/C21H39NO2Si2/c1-10-13-19-14-11-12-15-21(19)23-17-20(24-26(7,8)9)16-22(18(2)3)25(4,5)6/h10-12,14-15,18,20H,1,13,16-17H2,2-9H3
- InChI Key
- XUNRRDCXXWUGPE-UHFFFAOYSA-N
- Formula
- C21H39NO2Si2
- SMILES
-
C=CCc1ccccc1OCC(CN(C(C)C)[Si](
C)(C)C)O[Si](C)(C)C - Molecular Weight1
- 393.71
- Other Names
-
- Alprenolol, 2tms 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 | 0.6746 | Relay (... Calculated Property | |
| ΔfG° | 134.48 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -553.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.01 | kJ/mol | Relay (... Calculated Property |
| IE | 7.41 | eV | Relay (... Calculated Property |
| log10WS | -3.28 | Relay (... Calculated Property | |
| logPoct/wat | 5.559 | Crippen Calculated Property | |
| Pc | 770.43 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2070.40; 2070.40] |
|
|
| Inp | 2070.40 | NIST | |
| Inp | 2070.40 | NIST | |
| Tboil | 635.41 | K | Relay (... Calculated Property |
| Tc | 798.26 | K | Relay (... Calculated Property |
| Tfus | 290.68 | K | Relay (... Calculated Property |
| Vc | 1.261 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Alprenolol, N-trimethylsilyl-, trimethylsilyl 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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