- InChI
- InChI=1S/C27H46O3Si2/c1-26-15-13-20(30-32(6,7)8)17-19(26)9-10-21-22-11-12-24(25(28)18-29-31(3,4)5)27(22,2)16-14-23(21)26/h13,17,21-24H,9-12,14-16,18H2,1-8H3/t21?,22?,23?,24-,26+,27+/m0/s1
- InChI Key
- HETVOBUPLWDXBU-VHXHPCHCSA-N
- Formula
- C27H46O3Si2
- SMILES
-
CC12CC=C(O[Si](C)(C)C)C=C1CCC1
C2CCC2(C)C(C(=O)CO[Si](C)(C)C) CCC12 - Molecular Weight1
- 474.82
- 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 | 0.6411 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -824.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.331 | Crippen Calculated Property | |
| Pc | 98.48 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3089.00 | NIST | |
| Tboil | 676.18 | K | Relay (1.0) Calculated Property |
| Tc | 952.29 | K | Relay (1.0) Calculated Property |
| Tfus | 406.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.472 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Deoxycorticosterone enol-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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