- InChI
- InChI=1S/C35H67NO5Si4/c1-25-21-27-28-18-20-35(41-45(14,15)16,31(40-44(11,12)13)24-38-42(5,6)7)34(28,3)23-30(39-43(8,9)10)32(27)33(2)19-17-26(36-37-4)22-29(25)33/h17,19,22,25,27-28,30-32H,18,20-21,23-24H2,1-16H3/t25-,27?,28?,30?,31?,32?,33?,34?,35-/m1/s1
- InChI Key
- METMJCRIDWEDOX-GQTIQGSJSA-N
- Formula
- C35H67NO5Si4
- 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(CO[Si](C)(C)C)O[Si ](C)(C)C - Molecular Weight1
- 694.25
- 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 | 0.8889 | Relay (1.0) Calculated Property | |
| ΔfG° | 9.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1184.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.465 | Crippen Calculated Property | |
| Inp | [3296.00; 3296.00] |
|
|
| Inp | 3296.00 | NIST | |
| Inp | 3296.00 | NIST | |
| Tboil | 740.34 | K | Relay (1.0) Calculated Property |
| Tc | 995.81 | K | Relay (1.0) Calculated Property |
| Tfus | 372.37 | K | Relay (1.0) Calculated Property |
| Vc | 2.178 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 20-hydroxy-methylprednisolone, MO-tetraTMS (1).
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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