- InChI
- InChI=1S/C23H31NOSi/c1-26(2,3)25-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22-18-24-16-14-19(22)15-17-24/h4-13,19,22H,14-18H2,1-3H3
- InChI Key
- YWPUYZUSYSBQSK-UHFFFAOYSA-N
- Formula
- C23H31NOSi
- SMILES
-
C[Si](C)(C)OC(c1ccccc1)(c1cccc
c1)C1CN2CCC1CC2 - Molecular Weight1
- 365.58
- 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 | 0.5942 | Relay (... Calculated Property | |
| ΔfG° | 283.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -89.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.07 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -3.55 | Relay (... Calculated Property | |
| logPoct/wat | 5.123 | Crippen Calculated Property | |
| Pc | 879.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2492.00; 2492.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Tboil | 665.83 | K | Relay (... Calculated Property |
| Tc | 956.23 | K | Relay (... Calculated Property |
| Tfus | 451.33 | K | Relay (... Calculated Property |
| Vc | 1.114 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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