- InChI
- InChI=1S/C26H48O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h18-19,21-24H,9-17H2,1-8H3/t19-,21?,22?,23?,24?,25+,26+/m0/s1
- InChI Key
- ISGBJAVXHCXBMH-BKNKKKQISA-N
- Formula
- C26H48O2Si2
- SMILES
-
CCC1(O[Si](C)(C)C)CCC2C3CCC4C=
C(O[Si](C)(C)C)CCC4C3CCC21C - Molecular Weight1
- 448.83
- 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 | 0.5983 | Relay (... Calculated Property | |
| ΔfG° | 65.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -767.10 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.44 | eV | Relay (... Calculated Property |
| log10WS | -6.40 | Relay (... Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| Pc | 45.41 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2670.00 | NIST | |
| Tboil | 668.88 | K | Relay (... Calculated Property |
| Tc | 914.82 | K | Relay (... Calculated Property |
| Tfus | 383.46 | K | Relay (... Calculated Property |
| Vc | 1.452 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5B-Estran-3-on-17B-ol, 17A-ethyl, 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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