- InChI
- InChI=1S/C18H34N4O5SSi/c1-7-25-18(23)22(14(2)3)12-15(27-29(4,5)6)13-26-17-16(19-28-20-17)21-8-10-24-11-9-21/h14-15H,7-13H2,1-6H3
- InChI Key
- BNAHVGOCKCBGDF-UHFFFAOYSA-N
- Formula
- C18H34N4O5SSi
- SMILES
-
CCOC(=O)N(CC(COc1nsnc1N1CCOCC1
)O[Si](C)(C)C)C(C)C - Molecular Weight1
- 446.64
- 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 | 0.9238 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -817.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.841 | Crippen Calculated Property | |
| Pc | 440.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2644.40; 2644.40] |
|
|
| Inp | 2644.40 | NIST | |
| Inp | 2644.40 | NIST | |
| Tboil | 673.22 | K | Relay (1.0) Calculated Property |
| Tc | 904.87 | K | Relay (1.0) Calculated Property |
| Tfus | 293.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.276 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Timolol, 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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