- InChI
- InChI=1S/C30H43F6NO3Si2/c1-27(2,3)41(8,9)39-24-14-12-20(13-15-24)25(40-42(10,11)28(4,5)6)19-37(7)26(38)21-16-22(29(31,32)33)18-23(17-21)30(34,35)36/h12-18,25H,19H2,1-11H3
- InChI Key
- JRWBGNNLGJPDEB-UHFFFAOYSA-N
- Formula
- C30H43F6NO3Si2
- SMILES
-
CN(CC(O[Si](C)(C)C(C)(C)C)c1cc
c(O[Si](C)(C)C(C)(C)C)cc1)C(=O )c1cc(C(F)(F)F)cc(C(F)(F)F)c1 - Molecular Weight1
- 635.83
- 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 | 0.9851 | Relay (... Calculated Property | |
| ΔfG° | -937.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1996.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -7.08 | Relay (... Calculated Property | |
| logPoct/wat | 9.943 | Crippen Calculated Property | |
| Pc | 132.84 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2688.00; 2688.00] |
|
|
| Inp | 2688.00 | NIST | |
| Inp | 2688.00 | NIST | |
| Tboil | 704.93 | K | Relay (... Calculated Property |
| Tc | 983.54 | K | Relay (... Calculated Property |
| Tfus | 416.41 | K | Relay (... Calculated Property |
| Vc | 1.750 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Synephrine. 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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