- InChI
- InChI=1S/C28H45NO3Si/c1-19(8-13-26(30)32-33(5,6)7)23-11-12-24-22-10-9-20-18-21(29-31-4)14-16-27(20,2)25(22)15-17-28(23,24)3/h9-10,18-19,22-25H,8,11-17H2,1-7H3/t19?,22?,23-,24?,25?,27+,28-/m0/s1
- InChI Key
- JLZQCJFRJSSKLT-BEVKLEDXSA-N
- Formula
- C28H45NO3Si
- SMILES
-
CON=C1C=C2C=CC3C(CCC4(C)C(C(C)
CCC(=O)O[Si](C)(C)C)CCC34)C2(C )CC1 - Molecular Weight1
- 471.75
- Other Names
-
- 3-oxo-4,6-chol-24-oate, O-methyloxime (1), TMS
- 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 | 0.7602 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -642.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.138 | Crippen Calculated Property | |
| Pc | 94.74 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3290.00 | NIST | |
| Tboil | 687.78 | K | Relay (1.0) Calculated Property |
| Tc | 961.82 | K | Relay (1.0) Calculated Property |
| Tfus | 392.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.417 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Androst-4-en-3-one, 17-[(trimethylsilyl)oxy]-, O-methyloxime, (17«beta»)-.](data:image/png;base64,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)
Find more compounds similar to 3-oxo-4,6-chol-24-oate, O-methyloxime (1).
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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