- InChI
- InChI=1S/C25H45NO2Si/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/h18-23H,8-16H2,1-7H3/b26-17-/t18?,19-,20?,21+,22?,23?,24-,25+/m1/s1
- InChI Key
- MFOIVZWKNBPHHX-XDCCQGFASA-N
- Formula
- C25H45NO2Si
- SMILES
-
CON=C(C)C1CCC2C3CCC4CC(O[Si](C
)(C)C)CCC4(C)C3CCC12C - 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 | 0.6300 | Relay (... Calculated Property | |
| ΔfG° | 194.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -537.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.58 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -5.63 | Relay (... Calculated Property | |
| logPoct/wat | 6.888 | Crippen Calculated Property | |
| Pc | 392.54 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2652.00; 2732.00] |
|
|
| Inp | 2652.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Inp | 2652.00 | NIST | |
| Tboil | 668.27 | K | Relay (... Calculated Property |
| Tc | 934.98 | K | Relay (... Calculated Property |
| Tfus | 391.27 | K | Relay (... Calculated Property |
| Vc | 1.322 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pregnanolone, 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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