- InChI
- InChI=1S/C24H42O3Si/c1-23-13-11-17(27-28(4,5)6)15-16(23)7-8-18-19-9-10-21(22(25)26-3)24(19,2)14-12-20(18)23/h16-21H,7-15H2,1-6H3/t16-,17+,18?,19?,20?,21+,23-,24-/m1/s1
- InChI Key
- WGNHKXCUYIUHGD-NXNBNPKKSA-N
- Formula
- C24H42O3Si
- SMILES
-
COC(=O)C1CCC2C3CCC4CC(O[Si](C)
(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 406.67
- 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 | 0.5836 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -846.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 108.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.038 | Crippen Calculated Property | |
| Pc | 477.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2644.00 | NIST | |
| Tboil | 662.25 | K | Relay (1.0) Calculated Property |
| Tc | 935.27 | K | Relay (1.0) Calculated Property |
| Tfus | 408.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.265 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Androstan-3-«alpha»-ol-17-«beta»-carboxylate, MeTMS.
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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