- InChI
- InChI=1S/C17H26O2S2Si/c1-22(2,14-15-8-4-3-5-9-15)19-17(18)11-7-6-10-16-12-13-20-21-16/h3-5,8-9,16H,6-7,10-14H2,1-2H3
- InChI Key
- ONCJZHMPVJNHEX-UHFFFAOYSA-N
- Formula
- C17H26O2S2Si
- SMILES
-
C[Si](C)(Cc1ccccc1)OC(=O)CCCCC
1CCSS1 - Molecular Weight1
- 354.60
- 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 | 0.6965 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -479.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.231 | Crippen Calculated Property | |
| Pc | 1108.11 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2678.00; 2678.00] |
|
|
| Inp | 2678.00 | NIST | |
| Inp | 2678.00 | NIST | |
| Tboil | 670.26 | K | Relay (1.0) Calculated Property |
| Tc | 888.25 | K | Relay (1.0) Calculated Property |
| Tfus | 308.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (.+/-.)-«alpha»-Lipoic acid, benzyldimethylsilyl ester.
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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