- InChI
- InChI=1S/C30H54O2Si2/c1-9-19-33(5,6)31-22(3)28-15-16-29-27-13-11-23-21-24(32-34(7,8)20-10-2)12-14-25(23)26(27)17-18-30(28,29)4/h9-10,22-29H,1-2,11-21H2,3-8H3/t22-,23+,24+,25?,26?,27?,28-,29?,30-/m0/s1
- InChI Key
- OIQFAVVJRZEEBZ-YRGPVTPUSA-N
- Formula
- C30H54O2Si2
- SMILES
-
C=CC[Si](C)(C)OC1CCC2C(CCC3C2C
CC2(C)C(C(C)O[Si](C)(C)CC=C)CC C32)C1 - Molecular Weight1
- 502.92
- 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 | 0.6366 | Relay (... Calculated Property | |
| ΔfG° | 218.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -764.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -7.11 | Relay (... Calculated Property | |
| logPoct/wat | 8.828 | Crippen Calculated Property | |
| Pc | -115.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3287.00 | NIST | |
| Tboil | 732.88 | K | Relay (... Calculated Property |
| Tc | 967.51 | K | Relay (... Calculated Property |
| Tfus | 366.40 | K | Relay (... Calculated Property |
| Vc | 1.584 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Pregnan-3«beta»,20«alpha»-diol, allyl-DMS.
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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