- InChI
- InChI=1S/C25H46O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h13,15,18-23H,9-12,14,16-17H2,1-8H3/t18-,19-,20?,21?,22?,23-,24-,25-/m1/s1
- InChI Key
- AFIXZMQBNBXTRZ-MWZFTKEVSA-N
- Formula
- C25H46O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)CC1CCC1C
2CCC2(C)C(O[Si](C)(C)C)CCC12 - Molecular Weight1
- 434.80
- 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 | 0.5502 | Relay (... Calculated Property | |
| ΔfG° | 94.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -728.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -6.53 | Relay (... Calculated Property | |
| logPoct/wat | 7.245 | Crippen Calculated Property | |
| Pc | 248.00 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2603.00; 2678.00] |
|
|
| Inp | 2652.00 | NIST | |
| Inp | 2642.00 | NIST | |
| Inp | 2603.00 | NIST | |
| Inp | 2678.00 | NIST | |
| Inp | 2652.00 | NIST | |
| Tboil | 657.50 | K | Relay (... Calculated Property |
| Tc | 900.18 | K | Relay (... Calculated Property |
| Tfus | 370.29 | K | Relay (... Calculated Property |
| Vc | 1.415 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Androst-1-ene-3-«beta»,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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