- InChI
- InChI=1S/C27H52O2Si2/c1-26-17-10-9-11-20(26)12-13-21-22-14-15-24(27(22,2)18-16-23(21)26)25(29-31(6,7)8)19-28-30(3,4)5/h20-25H,9-19H2,1-8H3/t20-,21?,22?,23?,24?,25-,26+,27+/m1/s1
- InChI Key
- IQDPJDLPDJDYHF-LHINJVPFSA-N
- Formula
- C27H52O2Si2
- SMILES
-
CC12CCCCC1CCC1C2CCC2(C)C(C(CO[
Si](C)(C)C)O[Si](C)(C)C)CCC12 - Molecular Weight1
- 464.87
- 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 | 0.6179 | Relay (... Calculated Property | |
| ΔfG° | 55.79 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -834.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -6.94 | Relay (... Calculated Property | |
| logPoct/wat | 8.107 | Crippen Calculated Property | |
| Pc | 134.35 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2800.00 | NIST | |
| Tboil | 690.42 | K | Relay (... Calculated Property |
| Tc | 937.72 | K | Relay (... Calculated Property |
| Tfus | 368.26 | K | Relay (... Calculated Property |
| Vc | 1.533 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnane-20-«beta»,21-diol, 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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