- InChI
- InChI=1S/C37H72O2Si2/c1-13-37(27(4)5,39-41(11,12)15-3)25-20-28(6)32-18-19-33-31-17-16-29-26-30(38-40(9,10)14-2)21-23-35(29,7)34(31)22-24-36(32,33)8/h27-34H,13-26H2,1-12H3/t28?,29-,30-,31?,32?,33?,34?,35?,36?,37-/m1/s1
- InChI Key
- SPGUWDQUZUDGSA-LVGRTLLHSA-N
- Formula
- C37H72O2Si2
- SMILES
-
CCC(CCC(C)C1CCC2C3CCC4CC(O[Si]
(C)(C)CC)CCC4(C)C3CCC12C)(O[Si ](C)(C)CC)C(C)C - Molecular Weight1
- 605.14
- 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 | 0.8277 | Relay (1.0) Calculated Property | |
| ΔfG° | 100.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1045.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.718 | Crippen Calculated Property | |
| Inp | 3690.00 | NIST | |
| Tboil | 752.32 | K | Relay (1.0) Calculated Property |
| Tc | 1016.96 | K | Relay (1.0) Calculated Property |
| Tfus | 364.80 | K | Relay (1.0) Calculated Property |
| Vc | 2.023 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (24S)-24-ethyl-5«alpha»-cholestan-3«beta»,24-diol, 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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