- InChI
- InChI=1S/C25H48O2Si2/c1-24-15-10-9-11-18(24)17-21(26-28(3,4)5)23-19-12-13-22(27-29(6,7)8)25(19,2)16-14-20(23)24/h18-23H,9-17H2,1-8H3/t18-,19?,20?,21-,22-,23?,24+,25+/m0/s1
- InChI Key
- MJMIFJGLEHUVMI-XTDPNHJSSA-N
- Formula
- C25H48O2Si2
- SMILES
-
CC12CCCCC1CC(O[Si](C)(C)C)C1C2
CCC2(C)C(O[Si](C)(C)C)CCC12 - Molecular Weight1
- 436.82
- 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 | 0.5746 | Relay (... Calculated Property | |
| ΔfG° | 36.66 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -795.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.15 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 7.469 | Crippen Calculated Property | |
| Pc | 309.52 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2430.00; 2437.00] |
|
|
| Inp | 2437.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Tboil | 664.20 | K | Relay (... Calculated Property |
| Tc | 919.33 | K | Relay (... Calculated Property |
| Tfus | 374.15 | K | Relay (... Calculated Property |
| Vc | 1.439 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Androstan-7-«alpha»,17-«beta»-diol, 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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