- InChI
- InChI=1S/C20H29NO3SSi/c1-20(2,3)26(4,5)24-16-19(17-12-8-6-9-13-17)21-25(22,23)18-14-10-7-11-15-18/h6-15,19,21H,16H2,1-5H3
- InChI Key
- ZSEFKLGGVBJWNM-UHFFFAOYSA-N
- Formula
- C20H29NO3SSi
- SMILES
-
CC(C)(C)[Si](C)(C)OCC(NS(=O)(=
O)c1ccccc1)c1ccccc1 - Molecular Weight1
- 391.60
- 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 | 0.7072 | Relay (1.0) Calculated Property | |
| ΔfG° | 24.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -487.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.728 | Crippen Calculated Property | |
| Pc | 1446.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2627.00; 2627.00] |
|
|
| Inp | 2627.00 | NIST | |
| Inp | 2627.00 | NIST | |
| Tboil | 679.66 | K | Relay (1.0) Calculated Property |
| Tc | 971.81 | K | Relay (1.0) Calculated Property |
| Tfus | 393.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.099 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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