- InChI
- InChI=1S/C23H41NO2Si/c1-22-13-11-17(26-27(4,5)6)15-16(22)7-8-18-19-9-10-21(24-25-3)23(19,2)14-12-20(18)22/h16-20H,7-15H2,1-6H3/t16-,17-,18?,19?,20?,22+,23+/m0/s1
- InChI Key
- OQODXBKTVOKPMR-PNLBLRPCSA-N
- Formula
- C23H41NO2Si
- SMILES
-
CON=C1CCC2C3CCC4CC(O[Si](C)(C)
C)CCC4(C)C3CCC12C - Molecular Weight1
- 391.66
- 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 | 0.6038 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -508.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.252 | Crippen Calculated Property | |
| Pc | 562.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2492.00; 2579.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2539.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Inp | 2545.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Inp | 2554.00 | NIST | |
| Inp | 2568.00 | NIST | |
| Inp | 2579.00 | NIST | |
| Inp | 2554.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Inp | 2568.00 | NIST | |
| Tboil | 652.99 | K | Relay (1.0) Calculated Property |
| Tc | 914.72 | K | Relay (1.0) Calculated Property |
| Tfus | 385.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.224 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Etiocholanolone, MO 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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