- InChI
- InChI=1S/C26H50O2Si2/c1-18(27-29(3,4)5)24-13-14-25-23-11-9-19-17-20(28-30(6,7)8)10-12-21(19)22(23)15-16-26(24,25)2/h18-25H,9-17H2,1-8H3/t18-,19+,20-,21?,22?,23?,24-,25?,26-/m0/s1
- InChI Key
- ZIOHXUGXOHHKHG-PBDCEHAPSA-N
- Formula
- C26H50O2Si2
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4CC
(O[Si](C)(C)C)CCC4C3CCC12C - Molecular Weight1
- 450.85
- 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 | 0.5926 | Relay (... Calculated Property | |
| ΔfG° | 53.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -841.37 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.86 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -6.84 | Relay (... Calculated Property | |
| logPoct/wat | 7.715 | Crippen Calculated Property | |
| Pc | 20.12 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2750.00 | NIST | |
| Tboil | 677.05 | K | Relay (... Calculated Property |
| Tc | 918.51 | K | Relay (... Calculated Property |
| Tfus | 392.95 | K | Relay (... Calculated Property |
| Vc | 1.479 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Pregnane-3«alpha»,20«alpha»-diol, EO-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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