- InChI
- InChI=1S/C28H52O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h12,21-24H,13-19H2,1-11H3/t21-,22?,23?,24?,27-,28-/m1/s1
- InChI Key
- XHAVWCXDWBVKJK-MQYOSBKTSA-N
- Formula
- C28H52O3Si3
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1=CCC1C
2CCC2(C)C(O[Si](C)(C)C)=C(O[Si ](C)(C)C)CC12 - Molecular Weight1
- 520.97
- 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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.06 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -920.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.694 | Crippen Calculated Property | |
| Pc | -291.18 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Inp | 2760.00 | NIST | |
| Tboil | 668.18 | K | Relay (1.0) Calculated Property |
| Tc | 925.66 | K | Relay (1.0) Calculated Property |
| Tfus | 361.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.691 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-ene-3«beta»,17«beta»-diol-16-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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