- InChI
- InChI=1S/C27H48O3Si2/c1-26-15-13-20(28)17-19(26)9-10-21-22-11-12-24(27(22,2)16-14-23(21)26)25(30-32(6,7)8)18-29-31(3,4)5/h17,21-25H,9-16,18H2,1-8H3/t21-,22-,23-,24+,25+,26?,27-/m1/s1
- InChI Key
- PKWNPIGWBFISPD-ACEMGPOESA-N
- Formula
- C27H48O3Si2
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
C(CO[Si](C)(C)C)O[Si](C)(C)C)C CC12 - Molecular Weight1
- 476.84
- 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 | 0.6597 | Relay (... Calculated Property | |
| ΔfG° | -34.32 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -865.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -5.56 | Relay (... Calculated Property | |
| logPoct/wat | 7.206 | Crippen Calculated Property | |
| Pc | 194.57 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 705.32 | K | Relay (... Calculated Property |
| Tc | 968.30 | K | Relay (... Calculated Property |
| Tfus | 386.51 | K | Relay (... Calculated Property |
| Vc | 1.502 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 20«beta»,21-Dihydroxypregn-4-en-3-one, 20,21-bis-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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