- InChI
- InChI=1S/C20H33NO3/c1-19-9-8-13(22)10-12(19)4-5-14-15-6-7-17(21-24-3)20(15,2)11-16(23)18(14)19/h12-16,18,22-23H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,18-,19+,20+/m0/s1
- InChI Key
- UZMRRBJCQIXXCE-SQSLJORLSA-N
- Formula
- C20H33NO3
- SMILES
-
CON=C1CCC2C3CCC4CC(O)CCC4(C)C3
C(O)CC12C - Molecular Weight1
- 335.48
- 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 | -642.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 272.510 | ml/mol | McGowan Calculated Property |
| Pc | 1605.13 | kPa | Joback Calculated Property |
| Inp | 2622.00 | NIST | |
| Tboil | 973.05 | K | Joback Calculated Property |
| Tc | 1199.28 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Androstan-3«alpha»,11«beta»-diol-17-one (Androsterone), MO.
Sources
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