- InChI
- InChI=1S/C30H52O2Si/c1-20(2)9-14-28(32-33(6,7)8)21(3)25-12-13-26-24-11-10-22-19-23(31)15-17-29(22,4)27(24)16-18-30(25,26)5/h19-21,24-28H,9-18H2,1-8H3/t21-,24?,25?,26?,27?,28?,29?,30?/m0/s1
- InChI Key
- MNQCLSQWCTWEBG-GKIJCXLUSA-N
- Formula
- C30H52O2Si
- SMILES
-
CC(C)CCC(O[Si](C)(C)C)C(C)C1CC
C2C3CCC4=CC(=O)CCC4(C)C3CCC12C - Molecular Weight1
- 472.82
- 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 | 0.6925 | Relay (... Calculated Property | |
| ΔfG° | 69.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -736.92 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.95 | eV | Relay (... Calculated Property |
| log10WS | -6.94 | Relay (... Calculated Property | |
| logPoct/wat | 8.427 | Crippen Calculated Property | |
| Pc | 152.26 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3325.00 | NIST | |
| Tboil | 718.17 | K | Relay (... Calculated Property |
| Tc | 980.92 | K | Relay (... Calculated Property |
| Tfus | 388.17 | K | Relay (... Calculated Property |
| Vc | 1.509 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, (17«alpha»)-.](data:image/png;base64,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)
Find more compounds similar to 22-Hydroxy-4-cholesten-3-one, TMS.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- NIST Webbook
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