- InChI
- InChI=1S/C36H69N3O5Si5/c1-34-22-20-28(37-42-47(9,10)11)24-27(34)18-19-29-30-21-23-36(41-46(6,7)8,32(26-40-45(3,4)5)39-44-49(15,16)17)35(30,2)25-31(33(29)34)38-43-48(12,13)14/h20,22,24,29-30,33H,18-19,21,23,25-26H2,1-17H3/t29?,30?,33?,34?,35?,36-/m1/s1
- InChI Key
- YMWWDIXGLZZAAH-SMZJNTQJSA-N
- Formula
- C36H69N3O5Si5
- SMILES
-
CC12C=CC(=NO[Si](C)(C)C)C=C1CC
C1C2C(=NO[Si](C)(C)C)CC2(C)C1C CC2(O[Si](C)(C)C)C(CO[Si](C)(C )C)=NO[Si](C)(C)C - Molecular Weight1
- 764.38
- 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 | 1.0596 | Relay (... Calculated Property | |
| ΔfG° | 200.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -985.08 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.23 | kJ/mol | Relay (... Calculated Property |
| IE | 7.47 | eV | Relay (... Calculated Property |
| log10WS | -7.08 | Relay (... Calculated Property | |
| logPoct/wat | 10.399 | Crippen Calculated Property | |
| Pc | -1320.20 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3192.00 | NIST | |
| Tboil | 754.11 | K | Relay (... Calculated Property |
| Tc | 1010.05 | K | Relay (... Calculated Property |
| Tfus | 347.21 | K | Relay (... Calculated Property |
| Vc | 2.380 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Prednisone, 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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