- InChI
- InChI=1S/C23H29F6NO3Si2/c1-34(2,3)32-19-8-7-15(11-20(19)33-35(4,5)6)9-10-30-21(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h7-8,11-14H,9-10H2,1-6H3,(H,30,31)
- InChI Key
- PYXIZYRTPJQVIZ-UHFFFAOYSA-N
- Formula
- C23H29F6NO3Si2
- SMILES
-
C[Si](C)(C)Oc1ccc(CCNC(=O)c2cc
(C(F)(F)F)cc(C(F)(F)F)c2)cc1O[ Si](C)(C)C - Molecular Weight1
- 537.64
- 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 | 0.9783 | Relay (1.0) Calculated Property | |
| ΔfG° | -1079.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1921.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.124 | Crippen Calculated Property | |
| Pc | 85.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2314.00; 2314.00] |
|
|
| Inp | 2314.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Tboil | 673.39 | K | Relay (1.0) Calculated Property |
| Tc | 929.46 | K | Relay (1.0) Calculated Property |
| Tfus | 403.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.404 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dopamine, 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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