![Androstane-11,17-dione, 3-[(trimethylsilyl)oxy]-, (3«alpha»,5«beta»)-](/cid/65-893-9/Androstane-11-17-dione-3-trimethylsilyl-oxy-3-alpha-5-beta.png "Androstane-11,17-dione, 3-[(trimethylsilyl)oxy]-, (3«alpha»,5«beta»)-")
- InChI
- InChI=1S/C22H36O3Si/c1-21-11-10-15(25-26(3,4)5)12-14(21)6-7-16-17-8-9-19(24)22(17,2)13-18(23)20(16)21/h14-17,20H,6-13H2,1-5H3
- InChI Key
- CCJDJZHCDREQKR-UHFFFAOYSA-N
- Formula
- C22H36O3Si
- SMILES
-
CC12CC(=O)C3C(CCC4CC(O[Si](C)(
C)C)CCC43C)C1CCC2=O - Molecular Weight1
- 376.60
- CAS
- 5042-90-0
- Other Names
-
- 5«beta»-Androstane-11,17-dione, 3«alpha»-(trimethylsiloxy)-
- 3-[(Trimethylsilyl)oxy]androstane-11,17-dione-, (3«alpha»,5«beta»)-
- 11-Ketoetiocholanolone TMS
- 11-Ketoetiocholanolone, tms derivative
- 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 | 0.5623 | Relay (... Calculated Property | |
| ΔfG° | -89.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -774.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -4.56 | Relay (... Calculated Property | |
| logPoct/wat | 4.997 | Crippen Calculated Property | |
| Pc | 799.36 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2611.00; 2622.00] |
|
|
| Inp | 2622.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 656.91 | K | Relay (... Calculated Property |
| Tc | 932.71 | K | Relay (... Calculated Property |
| Tfus | 427.87 | K | Relay (... Calculated Property |
| Vc | 1.138 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Androstane-11,17-dione, 3-[(trimethylsilyl)oxy]-, (3«alpha»,5«beta»)-.
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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