- InChI
- InChI=1S/C30H58O2Si2/c1-21(31-33(7,8)9)25-14-15-26-24-13-12-22-20-23(32-34(10,11)28(2,3)4)16-18-29(22,5)27(24)17-19-30(25,26)6/h21-27H,12-20H2,1-11H3/t21-,22-,23-,24?,25-,26?,27?,29+,30-/m0/s1
- InChI Key
- RKMUDRYIMBPXRR-KGYAFOCASA-N
- Formula
- C30H58O2Si2
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4CC
(O[Si](C)(C)C(C)(C)C)CCC4(C)C3 CCC12C - Molecular Weight1
- 506.95
- 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 | 0.6426 | Relay (... Calculated Property | |
| ΔfG° | 89.97 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -878.88 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 106.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -7.24 | Relay (... Calculated Property | |
| logPoct/wat | 9.276 | Crippen Calculated Property | |
| Pc | 95.93 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2998.00; 3033.00] |
|
|
| Inp | 2998.00 | NIST | |
| Inp | 3033.00 | NIST | |
| Tboil | 695.09 | K | Relay (... Calculated Property |
| Tc | 961.70 | K | Relay (... Calculated Property |
| Tfus | 392.07 | K | Relay (... Calculated Property |
| Vc | 1.692 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, (3-O)-TBDMSi, (20-O)-TMSi.
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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