- InChI
- InChI=1S/C26H47NO2Si/c1-24(2,3)30(7,8)29-19-13-15-25(4)18(17-19)9-10-20-21-11-12-23(27-28-6)26(21,5)16-14-22(20)25/h18-22H,9-17H2,1-8H3/b27-23+/t18-,19-,20?,21?,22?,25+,26+/m0/s1
- InChI Key
- ATAVHXFPXLCEHX-YAWSDBHMSA-N
- Formula
- C26H47NO2Si
- SMILES
-
CON=C1CCC2C3CCC4CC(O[Si](C)(C)
C(C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 433.74
- 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 | 0.6446 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -553.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.422 | Crippen Calculated Property | |
| Pc | 640.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2805.00; 2805.00] |
|
|
| Inp | 2805.00 | NIST | |
| Inp | 2805.00 | NIST | |
| Tboil | 666.51 | K | Relay (1.0) Calculated Property |
| Tc | 954.24 | K | Relay (1.0) Calculated Property |
| Tfus | 388.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.374 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Aetiocholanolone, MO-TBDMS.
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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