- InChI
- InChI=1S/C30H53N3O5Si2/c1-28-16-14-22(31-34-3)18-21(28)12-13-23-24-15-17-30(38-40(9,10)11,26(33-36-5)20-37-39(6,7)8)29(24,2)19-25(27(23)28)32-35-4/h18,23-24,27H,12-17,19-20H2,1-11H3/t23?,24?,27?,28-,29-,30-/m1/s1
- InChI Key
- DBQJJNSWAVLDND-VKNNHANSSA-N
- Formula
- C30H53N3O5Si2
- SMILES
-
CON=C1C=C2CCC3C(C(=NOC)CC4(C)C
3CCC4(O[Si](C)(C)C)C(CO[Si](C) (C)C)=NOC)C2(C)CC1 - Molecular Weight1
- 591.93
- 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 | 0.9411 | Relay (1.0) Calculated Property | |
| ΔfG° | 189.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -691.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.008 | Crippen Calculated Property | |
| Pc | -377.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3223.00; 3279.00] |
|
|
| Inp | 3223.00 | NIST | |
| Inp | 3279.00 | NIST | |
| Inp | 3248.00 | NIST | |
| Inp | 3279.00 | NIST | |
| Inp | 3248.00 | NIST | |
| Tboil | 726.09 | K | Relay (1.0) Calculated Property |
| Tc | 989.57 | K | Relay (1.0) Calculated Property |
| Tfus | 370.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.748 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Cortisone, 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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