- InChI
- InChI=1S/C20H34F3NO5Si3/c1-30(2,3)27-16-11-10-14(13-17(16)28-31(4,5)6)12-15(18(25)29-32(7,8)9)24-19(26)20(21,22)23/h10-11,13,15H,12H2,1-9H3,(H,24,26)
- InChI Key
- OGIZXHXABNSGRO-UHFFFAOYSA-N
- Formula
- C20H34F3NO5Si3
- SMILES
-
C[Si](C)(C)OC(=O)C(Cc1ccc(O[Si
](C)(C)C)c(O[Si](C)(C)C)c1)NC( =O)C(F)(F)F - Molecular Weight1
- 509.74
- Other Names
-
- 3,4-Dihydroxyphenylalanine, 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 | 0.8682 | Relay (1.0) Calculated Property | |
| ΔfG° | -910.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1862.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.082 | Crippen Calculated Property | |
| Pc | 167.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2057.00 | NIST | |
| Tboil | 606.36 | K | Relay (1.0) Calculated Property |
| Tc | 803.49 | K | Relay (1.0) Calculated Property |
| Tfus | 353.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.426 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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