- InChI
- InChI=1S/C23H39NO2Si/c1-22-13-11-17(26-27(4,5)6)15-16(22)7-8-18-19-9-10-21(24-25-3)23(19,2)14-12-20(18)22/h7,17-20H,8-15H2,1-6H3/t17-,18?,19?,20?,22-,23-/m1/s1
- InChI Key
- ZUCRMUCINLDBSB-OHUUOURWSA-N
- Formula
- C23H39NO2Si
- SMILES
-
CON=C1CCC2C3CC=C4CC(O[Si](C)(C
)C)CCC4(C)C3CCC12C - Molecular Weight1
- 389.65
- 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 | 0.5795 | Relay (... Calculated Property | |
| ΔfG° | 221.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -414.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -4.98 | Relay (... Calculated Property | |
| logPoct/wat | 6.172 | Crippen Calculated Property | |
| Pc | 579.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2590.00 | NIST | |
| Tboil | 642.91 | K | Relay (... Calculated Property |
| Tc | 903.59 | K | Relay (... Calculated Property |
| Tfus | 387.26 | K | Relay (... Calculated Property |
| Vc | 1.205 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-«beta»-Hydroxy-5-androsten-17-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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