- InChI
- InChI=1S/C21H38ClNO4SSi2/c1-16(27-30(10,11)21(5,6)7)19(24)23(29(8,9)20(2,3)4)28(25,26)18-14-12-17(22)13-15-18/h12-16H,1-11H3
- InChI Key
- AUMHSXVVOJSJKI-UHFFFAOYSA-N
- Formula
- C21H38ClNO4SSi2
- SMILES
-
CC(O[Si](C)(C)C(C)(C)C)C(=O)N(
[Si](C)(C)C(C)(C)C)S(=O)(=O)c1 ccc(Cl)cc1 - Molecular Weight1
- 492.22
- 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 | 0.7625 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -989.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.273 | Crippen Calculated Property | |
| Pc | 1086.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2563.00 | NIST | |
| Tboil | 650.77 | K | Relay (1.0) Calculated Property |
| Tc | 936.36 | K | Relay (1.0) Calculated Property |
| Tfus | 394.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.413 | 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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