- InChI
- InChI=1S/C21H33NO2/c1-13(23)22-19-7-6-17-16-5-4-14-12-15(24)8-10-20(14,2)18(16)9-11-21(17,19)3/h4,15-19,24H,5-12H2,1-3H3,(H,22,23)
- InChI Key
- NOEHXIHMVNEQCJ-UHFFFAOYSA-N
- Formula
- C21H33NO2
- SMILES
-
CC(O)=NC1CCC2C3CC=C4CC(O)CCC4(
C)C3CCC12C - Molecular Weight1
- 331.49
- CAS
- 27508-62-9
- 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).
- 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 | -432.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.655 | Crippen Calculated Property | |
| McVol | 276.430 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| Tboil | 979.72 | K | Joback Calculated Property |
| Tc | 1209.63 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17Beta-acetylamino-5-androsten-3beta-ol.
Sources
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