- InChI
- InChI=1S/C26H48O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h18-19,21-23H,10-17H2,1-9H3/t19-,21?,22?,23?,24?,25?,26-/m0/s1
- InChI Key
- QMJUKIBVQVZILS-JESIWLCVSA-N
- Formula
- C26H48O2Si2
- SMILES
-
CC12CCC(O[Si](C)(C)C)=CC1CCC1C
2CCC2(C)C1CCC2(C)O[Si](C)(C)C - Molecular Weight1
- 448.83
- 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 | 0.5865 | Relay (... Calculated Property | |
| ΔfG° | 72.18 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -751.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -6.20 | Relay (... Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| Pc | 245.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2498.00 | NIST | |
| Tboil | 657.32 | K | Relay (... Calculated Property |
| Tc | 911.33 | K | Relay (... Calculated Property |
| Tfus | 383.23 | K | Relay (... Calculated Property |
| Vc | 1.471 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17-«alpha»-Hydroxy-17-«beta»-methyl-5-«beta»-androstan-3-one, per-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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