- InChI
- InChI=1S/C18H18F5NO2Si/c1-27(2,3)26-11-6-4-10(5-7-11)8-9-24-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h4-7H,8-9H2,1-3H3,(H,24,25)
- InChI Key
- AQUQVACAECVICT-UHFFFAOYSA-N
- Formula
- C18H18F5NO2Si
- SMILES
-
C[Si](C)(C)Oc1ccc(CCNC(=O)c2c(
F)c(F)c(F)c(F)c2F)cc1 - Molecular Weight1
- 403.42
- 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 | 0.8245 | Relay (... Calculated Property | |
| ΔfG° | -743.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1120.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -6.22 | Relay (... Calculated Property | |
| logPoct/wat | 4.568 | Crippen Calculated Property | |
| Pc | 1028.66 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2001.00; 2001.00] |
|
|
| Inp | 2001.00 | NIST | |
| Inp | 2001.00 | NIST | |
| Tboil | 635.93 | K | Relay (... Calculated Property |
| Tc | 856.69 | K | Relay (... Calculated Property |
| Tfus | 365.86 | K | Relay (... Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Tyramine, PFB-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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