- InChI
- InChI=1S/C27H32F5NO4Si/c1-27(2,3)33(26(35)20-21(28)23(30)25(32)24(31)22(20)29)13-15(37-38(4,5)6)14-36-19-12-8-9-16-17(19)10-7-11-18(16)34/h8-9,12,15H,7,10-11,13-14H2,1-6H3
- InChI Key
- DZGLEEKVLFHXAV-UHFFFAOYSA-N
- Formula
- C27H32F5NO4Si
- SMILES
-
CC(C)(C)N(CC(COc1cccc2c1CCCC2=
O)O[Si](C)(C)C)C(=O)c1c(F)c(F) c(F)c(F)c1F - Molecular Weight1
- 557.62
- 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 | 1.0323 | Relay (1.0) Calculated Property | |
| ΔfG° | -817.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1499.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.441 | Crippen Calculated Property | |
| Pc | 287.27 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2961.00 | NIST | |
| Tboil | 738.28 | K | Relay (1.0) Calculated Property |
| Tc | 969.92 | K | Relay (1.0) Calculated Property |
| Tfus | 379.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.459 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Bunolol, 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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