- InChI
- InChI=1S/C27H52O2Si2/c1-10-19-12-14-23-22-13-11-20-17-21(28-30(4,5)6)15-16-26(20,2)25(22)24(18-27(19,23)3)29-31(7,8)9/h19-25H,10-18H2,1-9H3/t19-,20-,21+,22?,23?,24-,25?,26-,27+/m1/s1
- InChI Key
- JLXIJWQYAHIOLR-OBFGZVGSSA-N
- Formula
- C27H52O2Si2
- SMILES
-
CCC1CCC2C3CCC4CC(O[Si](C)(C)C)
CCC4(C)C3C(O[Si](C)(C)C)CC12C - 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 | 0.6069 | Relay (... Calculated Property | |
| ΔfG° | 56.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -827.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -7.06 | Relay (... Calculated Property | |
| logPoct/wat | 8.105 | Crippen Calculated Property | |
| Pc | 90.34 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2612.00 | NIST | |
| Tboil | 677.29 | K | Relay (... Calculated Property |
| Tc | 928.90 | K | Relay (... Calculated Property |
| Tfus | 370.79 | K | Relay (... Calculated Property |
| Vc | 1.537 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnan-3-«alpha»,11-«beta»-diol, 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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