- InChI
- InChI=1S/C26H44O2Si/c1-18(2)29(15-5-6-16-29)28-20-11-13-25(3)19(17-20)7-8-21-22-9-10-24(27)26(22,4)14-12-23(21)25/h18-23H,5-17H2,1-4H3/t19-,20+,21?,22?,23?,25-,26-/m1/s1
- InChI Key
- XAFNQUHGKKZCAP-IYVWQPIOSA-N
- Formula
- C26H44O2Si
- SMILES
-
CC(C)[Si]1(OC2CCC3(C)C(CCC4C5C
CC(=O)C5(C)CCC43)C2)CCCC1 - Molecular Weight1
- 416.71
- 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 | 0.5900 | Relay (... Calculated Property | |
| ΔfG° | 65.93 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -647.32 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -5.84 | Relay (... Calculated Property | |
| logPoct/wat | 7.133 | Crippen Calculated Property | |
| Pc | 668.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2976.00; 3031.00] |
|
|
| Inp | 2976.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Tboil | 688.94 | K | Relay (... Calculated Property |
| Tc | 997.81 | K | Relay (... Calculated Property |
| Tfus | 421.61 | K | Relay (... Calculated Property |
| Vc | 1.307 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Androsterone, TMIPSi (3-O).
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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