- InChI
- InChI=1S/C28H47NO3Si/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/h18-19,22-25H,8-17H2,1-7H3/t19?,22?,23-,24?,25?,27+,28-/m0/s1
- InChI Key
- GJCWOGDLSUCAKE-BEVKLEDXSA-N
- Formula
- C28H47NO3Si
- SMILES
-
CON=C1C=C2CCC3C(CCC4(C)C(C(C)C
CC(=O)O[Si](C)(C)C)CCC34)C2(C) CC1 - Molecular Weight1
- 473.76
- 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 | 0.7743 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -712.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.362 | Crippen Calculated Property | |
| Pc | 90.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3362.00; 3362.00] |
|
|
| Inp | 3362.00 | NIST | |
| Inp | 3362.00 | NIST | |
| Tboil | 695.42 | K | Relay (1.0) Calculated Property |
| Tc | 966.52 | K | Relay (1.0) Calculated Property |
| Tfus | 385.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.441 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-oxo-4-chol-24-oate, O-methyloxime-TMS (2).
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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