- InChI
- InChI=1S/C23H37NO3Si/c1-22-12-11-16(27-28(4,5)6)13-15(22)7-8-17-18-9-10-20(24-26-3)23(18,2)14-19(25)21(17)22/h7,16-18,21H,8-14H2,1-6H3/t16-,17?,18?,21?,22-,23-/m1/s1
- InChI Key
- NHDNWLWKVCPZBJ-HDSYMABGSA-N
- Formula
- C23H37NO3Si
- SMILES
-
CON=C1CCC2C3CC=C4CC(O[Si](C)(C
)C)CCC4(C)C3C(=O)CC12C - Molecular Weight1
- 403.63
- 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 | 0.6118 | Relay (... Calculated Property | |
| ΔfG° | 105.27 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -554.37 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -4.08 | Relay (... Calculated Property | |
| logPoct/wat | 5.351 | Crippen Calculated Property | |
| Pc | 597.78 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2730.00; 2730.00] |
|
|
| Inp | 2730.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Tboil | 654.92 | K | Relay (... Calculated Property |
| Tc | 931.76 | K | Relay (... Calculated Property |
| Tfus | 418.59 | K | Relay (... Calculated Property |
| Vc | 1.197 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-«beta»-Hydroxy-5-androsten-11,17-dione, 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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