- InChI
- InChI=1S/C20H21F6NO2Si/c1-30(2,3)29-17-6-4-13(5-7-17)8-9-27-18(28)14-10-15(19(21,22)23)12-16(11-14)20(24,25)26/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)
- InChI Key
- TVDFVURRXDLERZ-UHFFFAOYSA-N
- Formula
- C20H21F6NO2Si
- SMILES
-
C[Si](C)(C)Oc1ccc(CCNC(=O)c2cc
(C(F)(F)F)cc(C(F)(F)F)c2)cc1 - Molecular Weight1
- 449.46
- Other Names
-
- p-Tyramine, 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 | 0.8489 | Relay (... Calculated Property | |
| ΔfG° | -986.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1620.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -6.30 | Relay (... Calculated Property | |
| logPoct/wat | 5.910 | Crippen Calculated Property | |
| Pc | 605.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2114.00; 2114.00] |
|
|
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Tboil | 656.57 | K | Relay (... Calculated Property |
| Tc | 903.70 | K | Relay (... Calculated Property |
| Tfus | 410.67 | K | Relay (... Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-Tyramine, 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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