- InChI
- InChI=1S/C22H38OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h10,16,18-20H,6-9,11-15H2,1-5H3/t16-,18?,19?,20?,21-,22-/m1/s1
- InChI Key
- AQAMOROYYHHHDH-ZSFLQZPOSA-N
- Formula
- C22H38OSi
- SMILES
-
CC12CCCC1C1CCC3CC(O[Si](C)(C)C
)=CCC3(C)C1CC2 - Molecular Weight1
- 346.62
- 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 | 0.4834 | Relay (... Calculated Property | |
| ΔfG° | 153.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -498.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.74 | eV | Relay (... Calculated Property |
| log10WS | -6.51 | Relay (... Calculated Property | |
| logPoct/wat | 6.764 | Crippen Calculated Property | |
| Pc | 730.06 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2195.00; 2230.00] |
|
|
| Inp | 2195.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Tboil | 630.65 | K | Relay (... Calculated Property |
| Tc | 877.52 | K | Relay (... Calculated Property |
| Tfus | 367.79 | K | Relay (... Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Androstan-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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