- InChI
- InChI=1S/C29H48N2O5Si2/c1-27-15-13-21(30-33-3)17-20(27)11-12-22-23-14-16-29(36-38(8,9)10,25(32)19-35-37(5,6)7)28(23,2)18-24(26(22)27)31-34-4/h13,15,17,22-23,26H,11-12,14,16,18-19H2,1-10H3/t22?,23?,26?,27-,28-,29-/m1/s1
- InChI Key
- CFFYDAOQAVFLSY-BCOJFYKYSA-N
- Formula
- C29H48N2O5Si2
- SMILES
-
CON=C1C=CC2(C)C(=C1)CCC1C2C(=N
OC)CC2(C)C1CCC2(O[Si](C)(C)C)C (=O)CO[Si](C)(C)C - Molecular Weight1
- 560.87
- 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 | 0.8388 | Relay (... Calculated Property | |
| ΔfG° | 85.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -739.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 115.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.64 | eV | Relay (... Calculated Property |
| log10WS | -5.12 | Relay (... Calculated Property | |
| logPoct/wat | 6.351 | Crippen Calculated Property | |
| Pc | -243.05 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2893.00; 2893.00] |
|
|
| Inp | 2893.00 | NIST | |
| Inp | 2893.00 | NIST | |
| Tboil | 710.41 | K | Relay (... Calculated Property |
| Tc | 988.21 | K | Relay (... Calculated Property |
| Tfus | 391.74 | K | Relay (... Calculated Property |
| Vc | 1.631 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Prednisone, bis-MO-bis-TMS, syn.
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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