- InChI
- InChI=1S/C26H47NO3Si2/c1-25-14-12-19(29-31(4,5)6)16-18(25)17-22(30-32(7,8)9)24-20-10-11-23(27-28-3)26(20,2)15-13-21(24)25/h17,19-22,24H,10-16H2,1-9H3/t19-,20?,21?,22-,24?,25-,26-/m1/s1
- InChI Key
- QQNSDFVOFMVHMI-NOGOHAQESA-N
- Formula
- C26H47NO3Si2
- SMILES
-
CON=C1CCC2C3C(O[Si](C)(C)C)C=C
4CC(O[Si](C)(C)C)CCC4(C)C3CCC1 2C - Molecular Weight1
- 477.83
- 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 | 0.6687 | Relay (... Calculated Property | |
| ΔfG° | 132.20 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -689.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -5.26 | Relay (... Calculated Property | |
| logPoct/wat | 7.002 | Crippen Calculated Property | |
| Pc | 134.21 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2705.00 | NIST | |
| Tboil | 661.36 | K | Relay (... Calculated Property |
| Tc | 929.17 | K | Relay (... Calculated Property |
| Tfus | 374.26 | K | Relay (... Calculated Property |
| Vc | 1.492 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-«beta»,7-«beta»-Dihydroxy-5-androsten-17-one, 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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