- InChI
- InChI=1S/C26H46O3Si2/c1-24-13-10-18(27)16-22(24)23(28-30(4,5)6)17-19-20(24)11-14-25(2)21(19)12-15-26(25,3)29-31(7,8)9/h16,19-21,23H,10-15,17H2,1-9H3/t19?,20?,21?,23-,24?,25?,26+/m0/s1
- InChI Key
- SYNMPOHDXXIHTM-HVXWYVMFSA-N
- Formula
- C26H46O3Si2
- SMILES
-
CC12CCC(=O)C=C1C(O[Si](C)(C)C)
CC1C2CCC2(C)C1CCC2(C)O[Si](C)( C)C - Molecular Weight1
- 462.81
- 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 | 0.6263 | Relay (... Calculated Property | |
| ΔfG° | -59.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -870.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -5.20 | Relay (... Calculated Property | |
| logPoct/wat | 6.958 | Crippen Calculated Property | |
| Pc | 320.50 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2798.00 | NIST | |
| Tboil | 676.79 | K | Relay (... Calculated Property |
| Tc | 950.65 | K | Relay (... Calculated Property |
| Tfus | 400.57 | K | Relay (... Calculated Property |
| Vc | 1.472 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 6«beta»-Hydroxy-17«alpha»-Methyltestosterone, bis-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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