- InChI
- InChI=1S/C25H46O3Si2/c1-24-13-11-17(27-29(3,4)5)15-21(24)22(26)16-18-19-9-10-23(28-30(6,7)8)25(19,2)14-12-20(18)24/h17-21,23H,9-16H2,1-8H3/t17-,18?,19?,20?,21-,23+,24-,25+/m0/s1
- InChI Key
- YGPPARABFBKEMI-XAEDEZGWSA-N
- Formula
- C25H46O3Si2
- SMILES
-
CC12CCC3C(CC(=O)C4CC(O[Si](C)(
C)C)CCC43C)C1CCC2O[Si](C)(C)C - Molecular Weight1
- 450.80
- 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 | 0.6196 | Relay (... Calculated Property | |
| ΔfG° | -67.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -910.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -5.29 | Relay (... Calculated Property | |
| logPoct/wat | 6.648 | Crippen Calculated Property | |
| Pc | 298.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2793.00; 2793.00] |
|
|
| Inp | 2793.00 | NIST | |
| Inp | 2793.00 | NIST | |
| Tboil | 676.63 | K | Relay (... Calculated Property |
| Tc | 948.71 | K | Relay (... Calculated Property |
| Tfus | 401.47 | K | Relay (... Calculated Property |
| Vc | 1.437 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»,17«beta»-Dihydroxy-5«alpha»-androstan-6-one, TMS.
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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