- InChI
- InChI=1S/C32H59NO4Si3/c1-22-19-25-26-16-18-32(37-40(12,13)14,23(2)35-38(6,7)8)31(26,4)21-28(36-39(9,10)11)29(25)30(3)17-15-24(33-34-5)20-27(22)30/h15,17,20,22-23,25-26,28-29H,16,18-19,21H2,1-14H3/t22-,23?,25?,26?,28?,29?,30?,31?,32-/m1/s1
- InChI Key
- YMQJXXHRCKFDER-LAJSSNOOSA-N
- Formula
- C32H59NO4Si3
- SMILES
-
CON=C1C=CC2(C)C(=C1)C(C)CC1C2C
(O[Si](C)(C)C)CC2(C)C1CCC2(O[S i](C)(C)C)C(C)O[Si](C)(C)C - Molecular Weight1
- 606.07
- 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.
- 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 | 0.7899 | Relay (... Calculated Property | |
| ΔfG° | 81.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -922.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.82 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -6.33 | Relay (... Calculated Property | |
| logPoct/wat | 8.634 | Crippen Calculated Property | |
| Pc | -551.68 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3296.00; 3296.00] |
|
|
| Inp | 3296.00 | NIST | |
| Inp | 3296.00 | NIST | |
| Tboil | 708.70 | K | Relay (... Calculated Property |
| Tc | 970.66 | K | Relay (... Calculated Property |
| Tfus | 388.21 | K | Relay (... Calculated Property |
| Vc | 1.886 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dehydroxy-20-hydroxy-methylprednisolone, MO-triTMS (2).
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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