- InChI
- InChI=1S/C27H39F6NO4Si3/c1-34(25(35)19-13-20(26(28,29)30)16-21(14-19)27(31,32)33)17-24(38-41(8,9)10)18-11-12-22(36-39(2,3)4)23(15-18)37-40(5,6)7/h11-16,24H,17H2,1-10H3
- InChI Key
- PGCARAXUUGXVRZ-UHFFFAOYSA-N
- Formula
- C27H39F6NO4Si3
- SMILES
-
CN(CC(O[Si](C)(C)C)c1ccc(O[Si]
(C)(C)C)c(O[Si](C)(C)C)c1)C(=O )c1cc(C(F)(F)F)cc(C(F)(F)F)c1 - Molecular Weight1
- 639.85
- Other Names
-
- Adrenaline, DTFMB-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 | 1.0345 | Relay (... Calculated Property | |
| ΔfG° | -1109.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2201.87 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -6.39 | Relay (... Calculated Property | |
| logPoct/wat | 8.816 | Crippen Calculated Property | |
| Pc | -479.49 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2386.00; 2386.00] |
|
|
| Inp | 2386.00 | NIST | |
| Inp | 2386.00 | NIST | |
| Inp | 2386.00 | NIST | |
| Tboil | 684.06 | K | Relay (... Calculated Property |
| Tc | 930.44 | K | Relay (... Calculated Property |
| Tfus | 402.30 | K | Relay (... Calculated Property |
| Vc | 1.746 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Adrenaline, 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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