- InChI
- InChI=1S/C21H39NO3Si/c1-17(2)22-15-20(25-26(7,8)21(3,4)5)16-24-19-11-9-18(10-12-19)13-14-23-6/h9-12,17,20,22H,13-16H2,1-8H3
- InChI Key
- KYDUFKHOCGTGDV-UHFFFAOYSA-N
- Formula
- C21H39NO3Si
- SMILES
-
COCCc1ccc(OCC(CNC(C)C)O[Si](C)
(C)C(C)(C)C)cc1 - Molecular Weight1
- 381.62
- 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 | 0.7951 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -672.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.643 | Crippen Calculated Property | |
| Pc | 1073.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2297.00 | NIST | |
| Tboil | 650.55 | K | Relay (1.0) Calculated Property |
| Tc | 833.42 | K | Relay (1.0) Calculated Property |
| Tfus | 311.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metoprolol, 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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