- InChI
- InChI=1S/C15H22F3NO2Si/c1-11(19(2)14(20)15(16,17)18)10-12-6-8-13(9-7-12)21-22(3,4)5/h6-9,11H,10H2,1-5H3
- InChI Key
- BXTHWTVTDNVFJY-UHFFFAOYSA-N
- Formula
- C15H22F3NO2Si
- SMILES
-
CC(Cc1ccc(O[Si](C)(C)C)cc1)N(C
)C(=O)C(F)(F)F - Molecular Weight1
- 333.42
- 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 | 0.6069 | Relay (1.0) Calculated Property | |
| ΔfG° | -548.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1092.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.852 | Crippen Calculated Property | |
| Pc | 1107.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1734.00 | NIST | |
| Tboil | 560.80 | K | Relay (1.0) Calculated Property |
| Tc | 714.12 | K | Relay (1.0) Calculated Property |
| Tfus | 300.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.905 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pholedrine N-TFA-O-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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