- InChI
- InChI=1S/C41H82O3Si3/c1-16-32(38(6,7)43-46(12,13)18-3)21-20-31(5)41(44-47(14,15)19-4)29-26-37-35-23-22-33-30-34(42-45(10,11)17-2)24-27-39(33,8)36(35)25-28-40(37,41)9/h31-37H,16-30H2,1-15H3/t31?,32-,33+,34+,35?,36?,37?,39?,40?,41+/m0/s1
- InChI Key
- PEPUBKRLZUOYIQ-UBFBHDBHSA-N
- Formula
- C41H82O3Si3
- SMILES
-
CCC(CCC(C)C1(O[Si](C)(C)CC)CCC
2C3CCC4CC(O[Si](C)(C)CC)CCC4(C )C3CCC21C)C(C)(C)O[Si](C)(C)CC - Molecular Weight1
- 707.34
- 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 | 0.9346 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1317.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 132.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.082 | Crippen Calculated Property | |
| Inp | [3988.00; 3988.00] |
|
|
| Inp | 3988.00 | NIST | |
| Inp | 3988.00 | NIST | |
| Tboil | 783.06 | K | Relay (1.0) Calculated Property |
| Tc | 1044.86 | K | Relay (1.0) Calculated Property |
| Tfus | 357.90 | K | Relay (1.0) Calculated Property |
| Vc | 2.365 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (24R)-24-ethyl-5«alpha»-cholestan-3«beta»,17«alpha»,25-triol, DMESI.
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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