- InChI
- InChI=1S/C28H36F5NO4Si/c1-17(2)34(28(35)22-23(29)25(31)27(33)26(32)24(22)30)14-21(38-39(3,4)5)16-37-20-10-8-18(9-11-20)12-13-36-15-19-6-7-19/h8-11,17,19,21H,6-7,12-16H2,1-5H3
- InChI Key
- ABYBJKXWOAFKLA-UHFFFAOYSA-N
- Formula
- C28H36F5NO4Si
- SMILES
-
CC(C)N(CC(COc1ccc(CCOCC2CC2)cc
1)O[Si](C)(C)C)C(=O)c1c(F)c(F) c(F)c(F)c1F - Molecular Weight1
- 573.67
- 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 | 1.0963 | Relay (... Calculated Property | |
| ΔfG° | -773.12 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1503.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 127.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -7.28 | Relay (... Calculated Property | |
| logPoct/wat | 6.501 | Crippen Calculated Property | |
| Pc | 175.36 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2968.00; 2968.00] |
|
|
| Inp | 2968.00 | NIST | |
| Inp | 2968.00 | NIST | |
| Tboil | 743.05 | K | Relay (... Calculated Property |
| Tc | 941.84 | K | Relay (... Calculated Property |
| Tfus | 338.28 | K | Relay (... Calculated Property |
| Vc | 1.539 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Betaxolol, PFB-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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