- InChI
- InChI=1S/C25H45NO2Si/c1-17(26-27-4)20-13-14-21-19-12-11-18-10-8-9-15-24(18,2)23(19)22(16-25(20,21)3)28-29(5,6)7/h18-23H,8-16H2,1-7H3/b26-17-/t18-,19?,20-,21?,22+,23?,24+,25-/m0/s1
- InChI Key
- RVFWFCRECYIUFJ-IPNFVMEGSA-N
- Formula
- C25H45NO2Si
- SMILES
-
CON=C(C)C1CCC2C3CCC4CCCCC4(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 | 0.6258 | Relay (... Calculated Property | |
| ΔfG° | 190.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -545.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.51 | eV | Relay (... Calculated Property |
| log10WS | -5.90 | Relay (... Calculated Property | |
| logPoct/wat | 6.888 | Crippen Calculated Property | |
| Pc | 386.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2615.00 | NIST | |
| Tboil | 669.31 | K | Relay (... Calculated Property |
| Tc | 932.13 | K | Relay (... Calculated Property |
| Tfus | 376.88 | K | Relay (... Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnan-11-«beta»-ol-20-one, 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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