- InChI
- InChI=1S/C22H37NO/c1-5-15-10-12-18-17-11-9-16-8-6-7-13-21(16,2)20(17)19(23-24-4)14-22(15,18)3/h15-18,20H,5-14H2,1-4H3/t15-,16+,17?,18?,20?,21-,22+/m1/s1
- InChI Key
- HKQXLBHDHDHGOK-VYRZHPCYSA-N
- Formula
- C22H37NO
- SMILES
-
CCC1CCC2C3CCC4CCCCC4(C)C3C(=NO
C)CC12C - Molecular Weight1
- 331.54
- 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 | -358.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.40 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 6.058 | Crippen Calculated Property | |
| McVol | 288.950 | ml/mol | McGowan Calculated Property |
| Pc | 1240.71 | kPa | Joback Calculated Property |
| Inp | 2303.00 | NIST | |
| Tboil | 839.12 | K | Joback Calculated Property |
| Tc | 1075.45 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Pregnan-11-one, MO.
Sources
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