- InChI
- InChI=1S/C26H44N2O3Si/c1-25-14-12-19(27-29-3)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)24(28-30-4)17-31-32(5,6)7/h16,20-23H,8-15,17H2,1-7H3/b27-19+,28-24-/t20-,21-,22-,23+,25?,26-/m1/s1
- InChI Key
- QDEFZWVWFGZSRJ-WQYHOECPSA-N
- Formula
- C26H44N2O3Si
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C(C(CO[
Si](C)(C)C)=NOC)CCC34)C2(C)CC1 - Molecular Weight1
- 460.72
- 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 | 0.7597 | Relay (... Calculated Property | |
| ΔfG° | 260.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -454.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -5.17 | Relay (... Calculated Property | |
| logPoct/wat | 6.422 | Crippen Calculated Property | |
| Pc | 221.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3030.00 | NIST | |
| Tboil | 692.95 | K | Relay (... Calculated Property |
| Tc | 953.84 | K | Relay (... Calculated Property |
| Tfus | 387.76 | K | Relay (... Calculated Property |
| Vc | 1.375 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 21-Hydroxypregn-4-en-3,20-dione, bis-MO-21-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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