- InChI
- InChI=1S/C38H78O4Si4/c1-27(26-39-43(5,6)7)17-18-28(2)31-19-20-32-36-33(25-35(38(31,32)4)42-46(14,15)16)37(3)22-21-30(40-44(8,9)10)23-29(37)24-34(36)41-45(11,12)13/h27-36H,17-26H2,1-16H3/t27?,28?,29-,30+,31?,32?,33?,34+,35-,36?,37?,38?/m1/s1
- InChI Key
- LTWMNVRMBRXNLW-HLAIWXDNSA-N
- Formula
- C38H78O4Si4
- SMILES
-
CC(CCC(C)C1CCC2C3C(O[Si](C)(C)
C)CC4CC(O[Si](C)(C)C)CCC4(C)C3 CC(O[Si](C)(C)C)C12C)CO[Si](C) (C)C - Molecular Weight1
- 711.37
- 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 | 0.9058 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1476.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.429 | Crippen Calculated Property | |
| Inp | 3314.00 | NIST | |
| Tboil | 762.73 | K | Relay (1.0) Calculated Property |
| Tc | 1015.85 | K | Relay (1.0) Calculated Property |
| Tfus | 351.07 | K | Relay (1.0) Calculated Property |
| Vc | 2.356 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 24-Nor-5«beta»-cholestane-3«alpha»,7«alpha»,12«alpha»,25-tetrol, 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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