- InChI
- InChI=1S/C25H43NO2Si/c1-8-17-10-12-21-20-11-9-18-15-19(28-29(5,6)7)13-14-24(18,2)23(20)22(26-27-4)16-25(17,21)3/h9,17,19-21,23H,8,10-16H2,1-7H3/b26-22+/t17-,19-,20?,21?,23?,24-,25+/m1/s1
- InChI Key
- MRYWMVXCCWMGNO-WYTYWXAZSA-N
- Formula
- C25H43NO2Si
- SMILES
-
CCC1CCC2C3CC=C4CC(O[Si](C)(C)C
)CCC4(C)C3C(=NOC)CC12C - Molecular Weight1
- 417.70
- 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 | 0.6060 | Relay (... Calculated Property | |
| ΔfG° | 226.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -448.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 6.808 | Crippen Calculated Property | |
| Pc | 380.19 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2651.00; 2651.00] |
|
|
| Inp | 2651.00 | NIST | |
| Inp | 2651.00 | NIST | |
| Tboil | 659.58 | K | Relay (... Calculated Property |
| Tc | 917.33 | K | Relay (... Calculated Property |
| Tfus | 376.07 | K | Relay (... Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3-«beta»-ol-11-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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