- InChI
- InChI=1S/C23H27F6NO2Si/c1-21(2,3)33(4,5)32-19-8-6-15(7-9-19)10-11-30-20(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h6-9,12-14H,10-11H2,1-5H3,(H,30,31)
- InChI Key
- XFEUWHPUEQTYBS-UHFFFAOYSA-N
- Formula
- C23H27F6NO2Si
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1ccc(CCNC(
=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c 2)cc1 - Molecular Weight1
- 491.54
- 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 | 0.8810 | Relay (... Calculated Property | |
| ΔfG° | -948.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1667.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -6.99 | Relay (... Calculated Property | |
| logPoct/wat | 7.081 | Crippen Calculated Property | |
| Pc | 687.56 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2367.00 | NIST | |
| Tboil | 676.95 | K | Relay (... Calculated Property |
| Tc | 946.63 | K | Relay (... Calculated Property |
| Tfus | 419.05 | K | Relay (... Calculated Property |
| Vc | 1.242 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Tyramine, DTFMB-TBDMS.
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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