- InChI
- InChI=1S/C27H50O2Si2/c1-19(28-30(4,5)6)23-12-13-24-22-11-10-20-18-21(29-31(7,8)9)14-16-26(20,2)25(22)15-17-27(23,24)3/h18-19,21-25H,10-17H2,1-9H3/t19?,21-,22?,23?,24?,25?,26?,27?/m0/s1
- InChI Key
- MCJUHONVKSCXOU-LBHVWCRMSA-N
- Formula
- C27H50O2Si2
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4=C
C(O[Si](C)(C)C)CCC4(C)C3CCC12C - Molecular Weight1
- 462.86
- 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 | 0.5778 | Relay (... Calculated Property | |
| ΔfG° | 97.48 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -758.08 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -6.53 | Relay (... Calculated Property | |
| logPoct/wat | 8.026 | Crippen Calculated Property | |
| Pc | 163.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2838.00; 2838.00] |
|
|
| Inp | 2838.00 | NIST | |
| Inp | 2838.00 | NIST | |
| Tboil | 666.90 | K | Relay (... Calculated Property |
| Tc | 915.75 | K | Relay (... Calculated Property |
| Tfus | 375.80 | K | Relay (... Calculated Property |
| Vc | 1.508 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pregnenediol, 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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