- InChI
- InChI=1S/C26H37F6NO4Si3/c1-38(2,3)35-21-11-10-17(14-22(21)36-39(4,5)6)23(37-40(7,8)9)16-33-24(34)18-12-19(25(27,28)29)15-20(13-18)26(30,31)32/h10-15,23H,16H2,1-9H3,(H,33,34)
- InChI Key
- RAMMWEIIFWOGPV-UHFFFAOYSA-N
- Formula
- C26H37F6NO4Si3
- SMILES
-
C[Si](C)(C)Oc1ccc(C(CNC(=O)c2c
c(C(F)(F)F)cc(C(F)(F)F)c2)O[Si ](C)(C)C)cc1O[Si](C)(C)C - Molecular Weight1
- 625.82
- Other Names
-
- Noradrenaline, N-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 | 1.0370 | Relay (... Calculated Property | |
| ΔfG° | -1149.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2223.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -6.44 | Relay (... Calculated Property | |
| logPoct/wat | 8.474 | Crippen Calculated Property | |
| Pc | -370.92 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2391.00; 2391.00] |
|
|
| Inp | 2391.00 | NIST | |
| Inp | 2391.00 | NIST | |
| Tboil | 681.77 | K | Relay (... Calculated Property |
| Tc | 945.56 | K | Relay (... Calculated Property |
| Tfus | 402.99 | K | Relay (... Calculated Property |
| Vc | 1.681 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Noradrenaline, 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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