- InChI
- InChI=1S/C23H38N2O2/c1-6-15-8-10-19-18-9-7-16-13-17(24-26-4)11-12-22(16,2)21(18)20(25-27-5)14-23(15,19)3/h15-16,18-19,21H,6-14H2,1-5H3/b24-17+,25-20+/t15-,16+,18?,19?,21?,22-,23+/m1/s1
- InChI Key
- ACPIXOASZHBQJM-QYUPGOEQSA-N
- Formula
- C23H38N2O2
- SMILES
-
CCC1CCC2C3CCC4CC(=NOC)CCC4(C)C
3C(=NOC)CC12C - Molecular Weight1
- 374.56
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -470.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 5.670 | Crippen Calculated Property | |
| McVol | 314.590 | ml/mol | McGowan Calculated Property |
| Pc | 1054.14 | kPa | Joback Calculated Property |
| Inp | [2536.00; 2536.00] |
|
|
| Inp | 2536.00 | NIST | |
| Inp | 2536.00 | NIST | |
| Tboil | 963.58 | K | Joback Calculated Property |
| Tc | 1204.81 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«beta»-Pregnan-3,11-dione, MO.
Sources
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