- InChI
- InChI=1S/C25H42O3Si2/c1-24-13-11-18(27-29(3,4)5)15-17(24)16-21(26)23-19-9-10-22(28-30(6,7)8)25(19,2)14-12-20(23)24/h10-11,17,19-20,23H,9,12-16H2,1-8H3/t17-,19?,20?,23?,24+,25+/m0/s1
- InChI Key
- MQUYMUUVPOKMNN-DZSZRFSFSA-N
- Formula
- C25H42O3Si2
- SMILES
-
CC12CCC3C(C(=O)CC4CC(O[Si](C)(
C)C)=CCC43C)C1CC=C2O[Si](C)(C) C - Molecular Weight1
- 446.77
- 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 | 0.6107 | Relay (1.0) Calculated Property | |
| ΔfG° | 17.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -804.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.899 | Crippen Calculated Property | |
| Pc | 253.51 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 654.46 | K | Relay (1.0) Calculated Property |
| Tc | 936.01 | K | Relay (1.0) Calculated Property |
| Tfus | 404.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.383 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstane-3,7,17-trione, 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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