- InChI
- InChI=1S/C27H48O3Si2/c1-18(28)21-12-13-22-20-11-10-19-16-24(29-31(4,5)6)25(30-32(7,8)9)17-27(19,3)23(20)14-15-26(21,22)2/h10,20-25H,11-17H2,1-9H3/t20?,21-,22?,23?,24?,25?,26-,27+/m0/s1
- InChI Key
- WPHLIUDJYNPPGD-CEPRCQELSA-N
- Formula
- C27H48O3Si2
- SMILES
-
CC(=O)C1CCC2C3CC=C4CC(O[Si](C)
(C)C)C(O[Si](C)(C)C)CC4(C)C3CC C12C - Molecular Weight1
- 476.84
- 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 | 0.6106 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -861.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.205 | Crippen Calculated Property | |
| Pc | 163.03 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2804.00 | NIST | |
| Tboil | 682.70 | K | Relay (1.0) Calculated Property |
| Tc | 951.10 | K | Relay (1.0) Calculated Property |
| Tfus | 399.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.505 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pregnan-2,3-diol-20-one, 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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