- InChI
- InChI=1S/C28H48O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13-14,16,18,21-23H,12,15,17,19H2,1-11H3/t21?,22?,23?,27-,28+/m0/s1
- InChI Key
- JNXWIUXKBXITAT-FJXIBAFOSA-N
- Formula
- C28H48O3Si3
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1=C(O
[Si](C)(C)C)CC1C2CCC2(C)C(O[Si ](C)(C)C)=CCC12 - Molecular Weight1
- 516.94
- 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.
- 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 | 0.6464 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -824.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.595 | Crippen Calculated Property | |
| Inp | 2820.00 | NIST | |
| Tboil | 651.22 | K | Relay (1.0) Calculated Property |
| Tc | 925.47 | K | Relay (1.0) Calculated Property |
| Tfus | 363.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.636 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-1,4-dien-6«beta»-ol-3,17-dione,tris-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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