- InChI
- InChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17(13-7-5-4-6-8-13)12-27-18(28)14-9-15(19(21,22)23)11-16(10-14)20(24,25)26/h4-11,17H,12H2,1-3H3,(H,27,28)
- InChI Key
- LKXNJZGLXIYALL-UHFFFAOYSA-N
- Formula
- C20H21F6NO2Si
- SMILES
-
C[Si](C)(C)OC(CNC(=O)c1cc(C(F)
(F)F)cc(C(F)(F)F)c1)c1ccccc1 - Molecular Weight1
- 449.46
- 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 | 0.7649 | Relay (1.0) Calculated Property | |
| ΔfG° | -964.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1615.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.047 | Crippen Calculated Property | |
| Pc | 692.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1970.00; 1970.00] |
|
|
| Inp | 1970.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Tboil | 632.48 | K | Relay (1.0) Calculated Property |
| Tc | 896.15 | K | Relay (1.0) Calculated Property |
| Tfus | 411.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.098 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenylethanolamine, N-DTFMB-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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