- InChI
- InChI=1S/C18H36N4O3SSi/c1-14(2)19-12-15(25-27(6,7)18(3,4)5)13-24-17-16(20-26-21-17)22-8-10-23-11-9-22/h14-15,19H,8-13H2,1-7H3
- InChI Key
- DCGFAXJUYDXAJO-UHFFFAOYSA-N
- Formula
- C18H36N4O3SSi
- SMILES
-
CC(C)NCC(COc1nsnc1N1CCOCC1)O[S
i](C)(C)C(C)(C)C - Molecular Weight1
- 416.65
- 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 | 0.8023 | Relay (... Calculated Property | |
| ΔfG° | 217.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -478.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.75 | kJ/mol | Relay (... Calculated Property |
| IE | 7.71 | eV | Relay (... Calculated Property |
| log10WS | -2.78 | Relay (... Calculated Property | |
| logPoct/wat | 3.142 | Crippen Calculated Property | |
| Pc | 838.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2511.00; 2511.00] |
|
|
| Inp | 2511.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Tboil | 665.85 | K | Relay (... Calculated Property |
| Tc | 906.16 | K | Relay (... Calculated Property |
| Tfus | 310.36 | K | Relay (... Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Timolol, 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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