- InChI
- InChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)9-11-5-7-12(8-6-11)20-21(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
- InChI Key
- XQJOUOPKHMJJLA-UHFFFAOYSA-N
- Formula
- C14H20F3NO2Si
- SMILES
-
CC(Cc1ccc(O[Si](C)(C)C)cc1)NC(
=O)C(F)(F)F - Molecular Weight1
- 319.39
- 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 | 0.6062 | Relay (1.0) Calculated Property | |
| ΔfG° | -615.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1112.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| Pc | 1226.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1682.00; 1682.00] |
|
|
| Inp | 1682.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Tboil | 551.58 | K | Relay (1.0) Calculated Property |
| Tc | 720.95 | K | Relay (1.0) Calculated Property |
| Tfus | 350.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.844 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxyamphetamine, 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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