- InChI
- InChI=1S/C26H44N2O4Si/c1-24-13-10-19(27-30-3)16-18(24)8-9-20-21(24)11-14-25(2)22(20)12-15-26(25,29)23(28-31-4)17-32-33(5,6)7/h16,20-22,29H,8-15,17H2,1-7H3/t20?,21?,22?,24-,25-,26-/m1/s1/i5D3,6D3,7D3
- InChI Key
- ZWQYGFFYGLCOFP-CNRRNCJVSA-N
- Formula
- C26H35D9N2O4Si
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C3CCC4(
O)C(CO[Si](C)(C)C)=NOC)C2(C)CC 1 - Molecular Weight1
- 485.78
- 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 | 0.8713 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.75 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -585.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.537 | Crippen Calculated Property | |
| Pc | 334.96 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 3155.00 | NIST | |
| Tboil | 701.56 | K | Relay (1.0) Calculated Property |
| Tc | 979.29 | K | Relay (1.0) Calculated Property |
| Tfus | 410.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.408 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»,21-Dihydroxypregn-4-en-3,20-dione, bis-MO-21-TMS(d9).
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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