- InChI
- InChI=1S/C21H37NO5Si/c1-8-25-21(23)22(17(2)3)15-20(27-28(5,6)7)16-26-19-11-9-18(10-12-19)13-14-24-4/h9-12,17,20H,8,13-16H2,1-7H3
- InChI Key
- HOWFNYGNEUKGBU-UHFFFAOYSA-N
- Formula
- C21H37NO5Si
- SMILES
-
CCOC(=O)N(CC(COc1ccc(CCOC)cc1)
O[Si](C)(C)C)C(C)C - Molecular Weight1
- 411.61
- 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 | 0.9135 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1026.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.341 | Crippen Calculated Property | |
| Pc | 664.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2418.50; 2418.50] |
|
|
| Inp | 2418.50 | NIST | |
| Inp | 2418.50 | NIST | |
| Tboil | 667.16 | K | Relay (1.0) Calculated Property |
| Tc | 833.70 | K | Relay (1.0) Calculated Property |
| Tfus | 284.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.265 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metoprolol, N-ethoxycarbonylated, TMS.
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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