- InChI
- InChI=1S/C32H58N2O5Si3/c1-30-18-16-24(33-35-3)20-23(30)14-15-25-26-17-19-32(39-42(11,12)13,28(34-36-4)22-37-40(5,6)7)31(26,2)21-27(29(25)30)38-41(8,9)10/h16,18,20,25-27,29H,14-15,17,19,21-22H2,1-13H3/b33-24+,34-28+/t25?,26?,27?,29?,30-,31-,32-/m1/s1
- InChI Key
- BZDGXDIJTGFBMR-SPYODXAFSA-N
- Formula
- C32H58N2O5Si3
- SMILES
-
CON=C1C=CC2(C)C(=C1)CCC1C2C(O[
Si](C)(C)C)CC2(C)C1CCC2(O[Si]( C)(C)C)C(CO[Si](C)(C)C)=NOC - Molecular Weight1
- 635.07
- 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.
- 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 | 0.9008 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -888.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.002 | Crippen Calculated Property | |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 729.44 | K | Relay (1.0) Calculated Property |
| Tc | 992.63 | K | Relay (1.0) Calculated Property |
| Tfus | 368.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.924 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Prednisolone, bis-MO-tris-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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