- InChI
- InChI=1S/C35H70O3Si3/c1-25(24-36-39(5,6)7)14-15-26(2)29-16-17-30-33-31(19-21-35(29,30)4)34(3)20-18-28(37-40(8,9)10)22-27(34)23-32(33)38-41(11,12)13/h25-33H,14-24H2,1-13H3/t25?,26?,27-,28+,29?,30?,31?,32+,33?,34?,35?/m1/s1
- InChI Key
- OESCRZOVYKVGSX-HXLQUVBPSA-N
- Formula
- C35H70O3Si3
- SMILES
-
CC(CCC(C)C1CCC2C3C(O[Si](C)(C)
C)CC4CC(O[Si](C)(C)C)CCC4(C)C3 CCC12C)CO[Si](C)(C)C - Molecular Weight1
- 623.18
- 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.
- 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 | 0.8253 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1216.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.599 | Crippen Calculated Property | |
| Inp | 3526.00 | NIST | |
| Tboil | 740.40 | K | Relay (1.0) Calculated Property |
| Tc | 993.67 | K | Relay (1.0) Calculated Property |
| Tfus | 366.61 | K | Relay (1.0) Calculated Property |
| Vc | 2.072 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Cholestane-3«alpha»,7«alpha»,26-triol, TMS.
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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