- InChI
- InChI=1S/C28H51NO3Si2/c1-19(31-33(5,6)7)23-13-14-24-22-12-11-20-17-21(32-34(8,9)10)15-16-27(20,2)26(22)25(29-30-4)18-28(23,24)3/h17,19,21-24,26H,11-16,18H2,1-10H3/t19-,21-,22?,23+,24?,26?,27-,28+/m1/s1
- InChI Key
- DNHGSMBOGFVZQW-IYFUHNTMSA-N
- Formula
- C28H51NO3Si2
- SMILES
-
CON=C1CC2(C)C(C(C)O[Si](C)(C)C
)CCC2C2CCC3=CC(O[Si](C)(C)C)CC C3(C)C12 - Molecular Weight1
- 505.88
- 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 | 0.6925 | Relay (1.0) Calculated Property | |
| ΔfG° | 141.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -730.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.638 | Crippen Calculated Property | |
| Pc | -26.07 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2988.00 | NIST | |
| Tboil | 681.19 | K | Relay (1.0) Calculated Property |
| Tc | 941.75 | K | Relay (1.0) Calculated Property |
| Tfus | 371.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.576 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pregnen-3-«beta»,20-«alpha»-diol-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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