- InChI
- InChI=1S/C20H36F3NO4Si3/c1-24(19(25)20(21,22)23)14-18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-13,18H,14H2,1-10H3
- InChI Key
- SXAPUNOGPVDUQY-UHFFFAOYSA-N
- Formula
- C20H36F3NO4Si3
- SMILES
-
CN(CC(O[Si](C)(C)C)c1ccc(O[Si]
(C)(C)C)c(O[Si](C)(C)C)c1)C(=O )C(F)(F)F - Molecular Weight1
- 495.76
- CAS
- 54135-51-2
- Other Names
-
- Adrenaline, N-TFA-tris-(O-TMS)
- Adrenaline, N-TFA-O-TMS
- 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 | 0.8065 | Relay (1.0) Calculated Property | |
| ΔfG° | -722.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1655.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.027 | Crippen Calculated Property | |
| Pc | 144.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1987.00; 1987.00] |
|
|
| Inp | 1987.00 | NIST | |
| Inp | 1987.00 | NIST | |
| Tboil | 594.25 | K | Relay (1.0) Calculated Property |
| Tc | 775.62 | K | Relay (1.0) Calculated Property |
| Tfus | 330.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.437 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine.
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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