- InChI
- InChI=1S/C24H44OSi/c1-17(25-26(4,5)6)20-12-13-21-19-11-10-18-9-7-8-15-23(18,2)22(19)14-16-24(20,21)3/h17-22H,7-16H2,1-6H3/t17-,18+,19?,20-,21?,22?,23+,24-/m0/s1
- InChI Key
- RGJNVEQQKVLRFZ-MBEPHZASSA-N
- Formula
- C24H44OSi
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4CC
CCC4(C)C3CCC12C - Molecular Weight1
- 376.69
- 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 | 0.5083 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -575.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.275 | Crippen Calculated Property | |
| Pc | 588.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 654.83 | K | Relay (1.0) Calculated Property |
| Tc | 899.25 | K | Relay (1.0) Calculated Property |
| Tfus | 374.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.242 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-«beta»-Pregnan-20-«beta»-ol, 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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