- InChI
- InChI=1S/C24H41NO2Si/c1-23-13-12-22-20(21(23)10-8-18(16-23)25-26-3)9-7-17-15-19(27-28(4,5)6)11-14-24(17,22)2/h7,19-22H,8-16H2,1-6H3/t19-,20?,21?,22?,23+,24-/m1/s1
- InChI Key
- KZJGABKUHRSGOW-WKUYOPBZSA-N
- Formula
- C24H41NO2Si
- SMILES
-
CON=C1CCC2C3CC=C4CC(O[Si](C)(C
)C)CCC4(C)C3CCC2(C)C1 - Molecular Weight1
- 403.67
- 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 | 0.5992 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -443.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.562 | Crippen Calculated Property | |
| Pc | 472.30 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2705.00 | NIST | |
| Tboil | 663.65 | K | Relay (1.0) Calculated Property |
| Tc | 917.71 | K | Relay (1.0) Calculated Property |
| Tfus | 390.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.245 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-«beta»-Hydroxy-D-homo-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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