- InChI
- InChI=1S/C27H50O2Si/c1-18(28)22-11-12-23-21-10-9-19-17-20(29-30(7,8)25(2,3)4)13-15-26(19,5)24(21)14-16-27(22,23)6/h18-24,28H,9-17H2,1-8H3/t18-,19-,20-,21?,22-,23?,24?,26+,27-/m0/s1
- InChI Key
- BGTQQFMWJQOKOI-TXUGEVFPSA-N
- Formula
- C27H50O2Si
- SMILES
-
CC(O)C1CCC2C3CCC4CC(O[Si](C)(C
)C(C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 434.77
- 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 | 0.7076 | Relay (... Calculated Property | |
| ΔfG° | 50.42 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -772.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.12 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -6.24 | Relay (... Calculated Property | |
| logPoct/wat | 7.417 | Crippen Calculated Property | |
| Pc | 588.64 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2908.00; 2945.00] |
|
|
| Inp | 2908.00 | NIST | |
| Inp | 2945.00 | NIST | |
| Inp | 2908.00 | NIST | |
| Tboil | 684.15 | K | Relay (... Calculated Property |
| Tc | 973.10 | K | Relay (... Calculated Property |
| Tfus | 431.35 | K | Relay (... Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, (3-O)-TBDMSi.
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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