- InChI
- InChI=1S/C25H44O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h13,15,17-18,20-23H,9-12,14,16H2,1-8H3
- InChI Key
- MHYUVCDDDLAFJG-UHFFFAOYSA-N
- Formula
- C25H44O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1CCC1
C2CCC2(C)C(O[Si](C)(C)C)CCC12 - Molecular Weight1
- 432.79
- 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 | 0.5540 | Relay (... Calculated Property | |
| ΔfG° | 112.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -660.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -6.50 | Relay (... Calculated Property | |
| logPoct/wat | 7.370 | Crippen Calculated Property | |
| Pc | 216.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2474.00; 2474.00] |
|
|
| Inp | 2474.00 | NIST | |
| Inp | 2474.00 | NIST | |
| Tboil | 643.08 | K | Relay (... Calculated Property |
| Tc | 906.95 | K | Relay (... Calculated Property |
| Tfus | 373.81 | K | Relay (... Calculated Property |
| Vc | 1.387 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5B-Androst-1-en-17B-ol-3-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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