- InChI
- InChI=1S/C30H54O4Si3/c1-28-17-14-23(33-36(6,7)8)20-22(28)12-13-24-25(28)15-18-29(2)26(24)16-19-30(29,34-37(9,10)11)27(31)21-32-35(3,4)5/h14,20,24-26H,12-13,15-19,21H2,1-11H3/t24?,25?,26?,28-,29-,30-/m1/s1
- InChI Key
- TVDQQQUDKYUDQX-HUXCJGEFSA-N
- Formula
- C30H54O4Si3
- SMILES
-
CC12CC=C(O[Si](C)(C)C)C=C1CCC1
C2CCC2(C)C1CCC2(O[Si](C)(C)C)C (=O)CO[Si](C)(C)C - Molecular Weight1
- 563.00
- Other Names
-
- 11-Desoxycortisol, tris-TMS
- 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 | 0.7193 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1075.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.305 | Crippen Calculated Property | |
| Pc | -322.99 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3162.00; 3178.00] |
|
|
| Inp | 3162.00 | NIST | |
| Inp | 3178.00 | NIST | |
| Inp | 3162.00 | NIST | |
| Tboil | 697.55 | K | Relay (1.0) Calculated Property |
| Tc | 968.74 | K | Relay (1.0) Calculated Property |
| Tfus | 397.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.766 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 11-Deoxycortisol 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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