- InChI
- InChI=1S/C15H26ClNO4SSi2/c1-12(21-24(5,6)7)15(18)17(23(2,3)4)22(19,20)14-10-8-13(16)9-11-14/h8-12H,1-7H3
- InChI Key
- QAPYGPHHUFJLDR-UHFFFAOYSA-N
- Formula
- C15H26ClNO4SSi2
- SMILES
-
CC(O[Si](C)(C)C)C(=O)N([Si](C)
(C)C)S(=O)(=O)c1ccc(Cl)cc1 - Molecular Weight1
- 408.06
- 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 | 0.6934 | Relay (1.0) Calculated Property | |
| ΔfG° | -221.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -896.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.932 | Crippen Calculated Property | |
| Pc | 1042.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2096.00; 2096.00] |
|
|
| Inp | 2096.00 | NIST | |
| Inp | 2096.00 | NIST | |
| Tboil | 621.73 | K | Relay (1.0) Calculated Property |
| Tc | 859.15 | K | Relay (1.0) Calculated Property |
| Tfus | 375.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.113 | 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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