- InChI
- InChI=1S/C25H43NO2Si/c1-17(26-27-4)21-10-11-22-20-9-8-18-16-19(28-29(5,6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,19-23H,9-16H2,1-7H3/t19-,20-,21+,22-,23-,24-,25+/m1/s1
- InChI Key
- UJRFOJLCOGKWOK-ZBZGGUAESA-N
- Formula
- C25H43NO2Si
- SMILES
-
CON=C(C)C1CCC2C3CC=C4CC(O[Si](
C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 417.70
- CAS
- 25830-38-0
- Other Names
-
- Pregnenolone, MO-TMS
- 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 | 0.6047 | Relay (... Calculated Property | |
| ΔfG° | 243.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -444.23 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.15 | eV | Relay (... Calculated Property |
| log10WS | -5.29 | Relay (... Calculated Property | |
| logPoct/wat | 6.808 | Crippen Calculated Property | |
| Pc | 391.43 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2834.00; 2834.00] |
|
|
| Inp | 2834.00 | NIST | |
| Inp | 2834.00 | NIST | |
| Tboil | 658.48 | K | Relay (... Calculated Property |
| Tc | 921.66 | K | Relay (... Calculated Property |
| Tfus | 392.57 | K | Relay (... Calculated Property |
| Vc | 1.298 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pregn-5-en-20-one, 3«beta»-(trimethylsiloxy)-, O-methyloxime.
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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