- InChI
- InChI=1S/C27H46O2Si/c1-25(2,3)30(16-6-7-17-30)29-20-12-14-26(4)19(18-20)8-9-21-22-10-11-24(28)27(22,5)15-13-23(21)26/h19-23H,6-18H2,1-5H3/t19?,20-,21?,22?,23?,26?,27?/m1/s1
- InChI Key
- BSVQVMAFWBNYSZ-SPKVWTJFSA-N
- Formula
- C27H46O2Si
- SMILES
-
CC12CCC3C(CCC4CC(O[Si]5(C(C)(C
)C)CCCC5)CCC43C)C1CCC2=O - Molecular Weight1
- 430.74
- CAS
- 64898-16-4
- Other Names
-
- 3-[(1-tert-Butyl-1-silolanyl)oxy]androstan-17-one-, (3«beta»,5«alpha»)-
- Epiandrosterone, TMTBSi (3-O)
- 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 | 0.5934 | Relay (... Calculated Property | |
| ΔfG° | 77.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -679.24 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.39 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -6.21 | Relay (... Calculated Property | |
| logPoct/wat | 7.523 | Crippen Calculated Property | |
| Pc | 550.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3113.00; 3176.00] |
|
|
| Inp | 3113.00 | NIST | |
| Inp | 3176.00 | NIST | |
| Inp | 3113.00 | NIST | |
| Tboil | 695.42 | K | Relay (... Calculated Property |
| Tc | 1005.37 | K | Relay (... Calculated Property |
| Tfus | 453.80 | K | Relay (... Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to o-Tetramethylen(tert-butyl)silylepiandrosterone.
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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