- InChI
- InChI=1S/C29H52N2O5Si2/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/h20,22-23,26H,11-19H2,1-10H3/b30-21+,31-24+/t20?,22?,23?,26?,27-,28-,29-/m1/s1
- InChI Key
- OQZJHDYUZGNUNX-OEQAGOLZSA-N
- Formula
- C29H52N2O5Si2
- SMILES
-
CON=C1CCC2(C)C(CCC3C2C(=NOC)CC
2(C)C3CCC2(O[Si](C)(C)C)C(=O)C O[Si](C)(C)C)C1 - Molecular Weight1
- 564.90
- 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 | 0.8649 | Relay (... Calculated Property | |
| ΔfG° | 20.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -876.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 117.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -5.01 | Relay (... Calculated Property | |
| logPoct/wat | 6.655 | Crippen Calculated Property | |
| Pc | -240.50 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3104.00; 3104.00] |
|
|
| Inp | 3104.00 | NIST | |
| Inp | 3104.00 | NIST | |
| Tboil | 718.75 | K | Relay (... Calculated Property |
| Tc | 995.05 | K | Relay (... Calculated Property |
| Tfus | 389.84 | K | Relay (... Calculated Property |
| Vc | 1.686 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5-Tetrahydroprednisone, MO 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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