- InChI
- InChI=1S/C23H38O2Si/c1-6-26(4,5)25-21-10-9-19-18-8-7-16-15-17(24)11-13-22(16,2)20(18)12-14-23(19,21)3/h6,16,18-21H,1,7-15H2,2-5H3/t16-,18?,19?,20?,21-,22-,23-/m1/s1
- InChI Key
- BQMPHVFWKDRPIA-RNAHECHESA-N
- Formula
- C23H38O2Si
- SMILES
-
C=C[Si](C)(C)OC1CCC2C3CCC4CC(=
O)CCC4(C)C3CCC12C - Molecular Weight1
- 374.63
- 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 | 0.5205 | Relay (... Calculated Property | |
| ΔfG° | 87.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -561.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.83 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 5.914 | Crippen Calculated Property | |
| Pc | 818.45 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2658.00; 2658.00] |
|
|
| Inp | 2658.00 | NIST | |
| Inp | 2658.00 | NIST | |
| Tboil | 668.92 | K | Relay (... Calculated Property |
| Tc | 937.86 | K | Relay (... Calculated Property |
| Tfus | 377.11 | K | Relay (... Calculated Property |
| Vc | 1.148 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstan-17«beta»-ol-3-one, VDMS.
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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