- InChI
- InChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22)
- InChI Key
- PEQXHHBWQBIGBH-UHFFFAOYSA-N
- Formula
- C17H28F3NO3Si2
- SMILES
-
CC(NC(=O)C(F)(F)F)C(O[Si](C)(C
)C)c1cccc(O[Si](C)(C)C)c1 - Molecular Weight1
- 407.58
- Other Names
-
- Metaraminol, 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 | 0.6603 | Relay (... Calculated Property | |
| ΔfG° | -695.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1394.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.57 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -2.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.860 | Crippen Calculated Property | |
| Pc | 719.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1743.00; 1743.00] |
|
|
| Inp | 1743.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Tboil | 570.28 | K | Relay (... Calculated Property |
| Tc | 753.90 | K | Relay (... Calculated Property |
| Tfus | 356.79 | K | Relay (... Calculated Property |
| Vc | 1.122 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Metaraminol, N-TFA, bis-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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