- InChI
- InChI=1S/C22H23ClN2O2Si/c1-28(2,3)27-21(16-7-5-4-6-8-16)19-15-18(23)9-10-20(19)25-22(26)17-11-13-24-14-12-17/h4-15,21H,1-3H3,(H,25,26)
- InChI Key
- QUBKTWRVWBOUJZ-UHFFFAOYSA-N
- Formula
- C22H23ClN2O2Si
- SMILES
-
C[Si](C)(C)OC(c1ccccc1)c1cc(Cl
)ccc1NC(=O)c1ccncc1 - Molecular Weight1
- 410.97
- 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 | 0.7800 | Relay (... Calculated Property | |
| ΔfG° | 219.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -196.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Relay (... Calculated Property | |
| logPoct/wat | 5.928 | Crippen Calculated Property | |
| Pc | 1415.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2810.80 | NIST | |
| Tboil | 699.27 | K | Relay (... Calculated Property |
| Tc | 1053.20 | K | Relay (... Calculated Property |
| Tfus | 427.21 | K | Relay (... Calculated Property |
| Vc | 1.112 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Inabenfide, trimethylsilyl ether.
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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