- InChI
- InChI=1S/C26H50N2O3Si2/c1-20(2)28-18-23(30-32(9,10)25(3,4)5)19-29-22-15-13-21(14-16-22)17-24(27)31-33(11,12)26(6,7)8/h13-16,20,23,27-28H,17-19H2,1-12H3
- InChI Key
- WSZVSLUSPKHZAO-UHFFFAOYSA-N
- Formula
- C26H50N2O3Si2
- SMILES
-
CC(C)NCC(COc1ccc(CC(=N)O[Si](C
)(C)C(C)(C)C)cc1)O[Si](C)(C)C( C)(C)C - Molecular Weight1
- 494.86
- 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 | 0.9765 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -879.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.995 | Crippen Calculated Property | |
| Pc | 769.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2857.50; 2857.50] |
|
|
| Inp | 2857.50 | NIST | |
| Inp | 2857.50 | NIST | |
| Tboil | 684.17 | K | Relay (1.0) Calculated Property |
| Tc | 908.73 | K | Relay (1.0) Calculated Property |
| Tfus | 349.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.587 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Atenolol, 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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