- InChI
- InChI=1S/C25H45NO2Si/c1-8-17-10-12-21-20-11-9-18-15-19(26-27-4)13-14-24(18,2)23(20)22(16-25(17,21)3)28-29(5,6)7/h17-18,20-23H,8-16H2,1-7H3/t17-,18+,20?,21?,22-,23?,24-,25+/m1/s1
- InChI Key
- FOLJPVIGGPQYMO-NXOAMMRSSA-N
- Formula
- C25H45NO2Si
- SMILES
-
CCC1CCC2C3CCC4CC(=NOC)CCC4(C)C
3C(O[Si](C)(C)C)CC12C - Molecular Weight1
- 419.72
- 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 | 0.6400 | Relay (... Calculated Property | |
| ΔfG° | 182.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -522.67 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.69 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -5.99 | Relay (... Calculated Property | |
| logPoct/wat | 6.888 | Crippen Calculated Property | |
| Pc | 382.28 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2621.00; 2679.00] |
|
|
| Inp | 2621.00 | NIST | |
| Inp | 2679.00 | NIST | |
| Tboil | 668.08 | K | Relay (... Calculated Property |
| Tc | 930.47 | K | Relay (... Calculated Property |
| Tfus | 379.21 | K | Relay (... Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«beta»-Pregnan-3-one-11-«beta»-ol, MO-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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