- InChI
- InChI=1S/C29H50O3Si2/c1-10-33(6,7)31-21(3)29(30)19-16-26-24-13-12-22-20-23(32-34(8,9)11-2)14-17-27(22,4)25(24)15-18-28(26,29)5/h10-12,21,23-26,30H,1-2,13-20H2,3-9H3/t21-,23-,24?,25?,26?,27-,28-,29-/m1/s1
- InChI Key
- LTGGVUILTPPBKH-WVQYGWCSSA-N
- Formula
- C29H50O3Si2
- SMILES
-
C=C[Si](C)(C)OC1CCC2(C)C(=CCC3
C2CCC2(C)C3CCC2(O)C(C)O[Si](C) (C)C=C)C1 - Molecular Weight1
- 502.88
- 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 | 0.6783 | Relay (... Calculated Property | |
| ΔfG° | 105.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -723.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 126.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -5.53 | Relay (... Calculated Property | |
| logPoct/wat | 7.331 | Crippen Calculated Property | |
| Pc | 235.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3238.00; 3238.00] |
|
|
| Inp | 3238.00 | NIST | |
| Inp | 3238.00 | NIST | |
| Tboil | 696.22 | K | Relay (... Calculated Property |
| Tc | 968.55 | K | Relay (... Calculated Property |
| Tfus | 396.85 | K | Relay (... Calculated Property |
| Vc | 1.552 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3«beta»,17«alpha»,20«alpha»-triol, (VDMS)2.
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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