- InChI
- InChI=1S/C26H48O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h12,15,19-23H,10-11,13-14,16-18H2,1-9H3/t19-,20-,21-,22+,23+,24+,25+,26-/m0/s1
- InChI Key
- FKXKDLQNCNDLSD-KAGZPTSZSA-N
- Formula
- C26H48O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)CC1CCC1C
2CCC2(C)C1CCC2(C)O[Si](C)(C)C - 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 | 0.5615 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -753.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.635 | Crippen Calculated Property | |
| Pc | 243.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2476.00; 2476.00] |
|
|
| Inp | 2476.00 | NIST | |
| Inp | 2476.00 | NIST | |
| Tboil | 660.74 | K | Relay (1.0) Calculated Property |
| Tc | 901.59 | K | Relay (1.0) Calculated Property |
| Tfus | 386.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.472 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5B-Androst-1-en-17B-methyl-3A,17A-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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