- InChI
- InChI=1S/C16H29NO4SSi2/c1-13-9-11-15(12-10-13)22(19,20)17(23(3,4)5)16(18)14(2)21-24(6,7)8/h9-12,14H,1-8H3
- InChI Key
- OHNCGUPSHRGPMH-UHFFFAOYSA-N
- Formula
- C16H29NO4SSi2
- SMILES
-
Cc1ccc(S(=O)(=O)N(C(=O)C(C)O[S
i](C)(C)C)[Si](C)(C)C)cc1 - Molecular Weight1
- 387.64
- 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 | 0.7075 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -878.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.587 | Crippen Calculated Property | |
| Pc | 921.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2066.00 | NIST | |
| Tboil | 618.17 | K | Relay (1.0) Calculated Property |
| Tc | 848.74 | K | Relay (1.0) Calculated Property |
| Tfus | 371.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.134 | 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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