- InChI
- InChI=1S/C28H50O2Si2/c1-9-31(5,6)29-20(3)26-15-16-27-25-13-11-21-19-22(30-32(7,8)10-2)12-14-23(21)24(25)17-18-28(26,27)4/h9-10,20-27H,1-2,11-19H2,3-8H3/t20-,21+,22+,23?,24?,25?,26-,27?,28-/m0/s1
- InChI Key
- SMVDIMGNHKWSTB-HDTASXAASA-N
- Formula
- C28H50O2Si2
- SMILES
-
C=C[Si](C)(C)OC1CCC2C(CCC3C2CC
C2(C)C(C(C)O[Si](C)(C)C=C)CCC3 2)C1 - Molecular Weight1
- 474.87
- 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 | 0.5694 | Relay (... Calculated Property | |
| ΔfG° | 194.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -695.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.32 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -6.76 | Relay (... Calculated Property | |
| logPoct/wat | 7.906 | Crippen Calculated Property | |
| Pc | -11.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3056.00 | NIST | |
| Tboil | 701.43 | K | Relay (... Calculated Property |
| Tc | 945.33 | K | Relay (... Calculated Property |
| Tfus | 370.19 | K | Relay (... Calculated Property |
| Vc | 1.492 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Pregnan-3«beta»,20«alpha»-diol, VDMS.
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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