- InChI
- InChI=1S/C35H64O2Si2/c1-12-38(8,9)36-27-19-21-35(7)31-20-22-34(6)29(26(5)16-14-15-25(3)4)17-18-30(34)28(31)24-33(32(35)23-27)37-39(10,11)13-2/h12-13,25-33H,1-2,14-24H2,3-11H3/t26-,27+,28?,29-,30+,31+,32-,33-,34-,35-/m0/s1
- InChI Key
- AMRTYTSGKDPNTI-RKSFFWDESA-N
- Formula
- C35H64O2Si2
- SMILES
-
C=C[Si](C)(C)OC1CCC2(C)C(C1)C(
O[Si](C)(C)C=C)CC1C3CCC(C(C)CC CC(C)C)C3(C)CCC12 - Molecular Weight1
- 573.05
- 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 | 0.7299 | Relay (... Calculated Property | |
| ΔfG° | 229.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -818.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 132.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -8.48 | Relay (... Calculated Property | |
| logPoct/wat | 10.349 | Crippen Calculated Property | |
| Pc | -408.47 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3400.00 | NIST | |
| Tboil | 738.41 | K | Relay (... Calculated Property |
| Tc | 991.79 | K | Relay (... Calculated Property |
| Tfus | 359.95 | K | Relay (... Calculated Property |
| Vc | 1.849 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Cholestan-3«beta»,6«beta»-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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