- InChI
- InChI=1S/C28H53NO3Si2/c1-19(31-33(5,6)7)23-13-14-24-22-12-11-20-17-21(29-30-4)15-16-27(20,2)26(22)25(18-28(23,24)3)32-34(8,9)10/h19-20,22-26H,11-18H2,1-10H3/t19-,20+,22?,23-,24?,25+,26?,27+,28-/m0/s1
- InChI Key
- PNHAIJSHVMDURX-AOMDDRBMSA-N
- Formula
- C28H53NO3Si2
- SMILES
-
CON=C1CCC2(C)C(CCC3C4CCC(C(C)O
[Si](C)(C)C)C4(C)CC(O[Si](C)(C )C)C32)C1 - Molecular Weight1
- 507.90
- 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 | 0.7230 | Relay (... Calculated Property | |
| ΔfG° | 111.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -786.54 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -5.76 | Relay (... Calculated Property | |
| logPoct/wat | 7.718 | Crippen Calculated Property | |
| Pc | -61.73 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3010.00 | NIST | |
| Tboil | 691.33 | K | Relay (... Calculated Property |
| Tc | 955.33 | K | Relay (... Calculated Property |
| Tfus | 380.54 | K | Relay (... Calculated Property |
| Vc | 1.601 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnan-11-«beta»,20-«beta»-diol-3-one, MO-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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