- InChI
- InChI=1S/C23H36O3Si/c1-21-10-7-15(24)13-19(21)20(25)14-16-17(21)8-11-22(2)18(16)9-12-23(22,3)26-27(4,5)6/h7,10,13,16-18,20,25H,8-9,11-12,14H2,1-6H3/t16?,17?,18?,20-,21?,22?,23-/m0/s1
- InChI Key
- BIAJQQPUOMKWSE-CRZRUPRVSA-N
- Formula
- C23H36O3Si
- SMILES
-
CC12C=CC(=O)C=C1C(O)CC1C2CCC2(
C)C1CCC2(C)O[Si](C)(C)C - Molecular Weight1
- 388.62
- 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 | 0.6254 | Relay (... Calculated Property | |
| ΔfG° | -57.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -680.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 131.58 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -4.38 | Relay (... Calculated Property | |
| logPoct/wat | 4.875 | Crippen Calculated Property | |
| Pc | 760.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2779.00; 2779.00] |
|
|
| Inp | 2779.00 | NIST | |
| Inp | 2779.00 | NIST | |
| Tboil | 666.08 | K | Relay (... Calculated Property |
| Tc | 942.06 | K | Relay (... Calculated Property |
| Tfus | 455.47 | K | Relay (... Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17-epi-6-«beta»-Hydroxymetandienone, 17-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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