- InChI
- InChI=1S/C16H32N4O3SSi/c1-16(2,3)17-11-13(23-25(4,5)6)12-22-15-14(18-24-19-15)20-7-9-21-10-8-20/h13,17H,7-12H2,1-6H3
- InChI Key
- OZLQNKYRHDADJG-UHFFFAOYSA-N
- Formula
- C16H32N4O3SSi
- SMILES
-
CC(C)(C)NCC(COc1nsnc1N1CCOCC1)
O[Si](C)(C)C - Molecular Weight1
- 388.60
- Other Names
-
- Timolol O-TMS
- Timolol TMS
- 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).
- 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 | 0.7834 | Relay (... Calculated Property | |
| ΔfG° | 195.66 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -449.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.89 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -2.55 | Relay (... Calculated Property | |
| logPoct/wat | 2.362 | Crippen Calculated Property | |
| Pc | 747.43 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 650.75 | K | Relay (... Calculated Property |
| Tc | 873.89 | K | Relay (... Calculated Property |
| Tfus | 310.00 | K | Relay (... Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Timolol TMS derivative.
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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