- InChI
- InChI=1S/C21H31NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23-24H,5,7-12H2,1-3H3
- InChI Key
- PUAYLIXQYVQBPE-UHFFFAOYSA-N
- Formula
- C21H31NO2
- SMILES
-
CC(=NO)C1=CCC2C3CC=C4CC(O)CCC4
(C)C3CCC12C - Molecular Weight1
- 329.48
- CAS
- 1045-71-2
- Other Names
-
- Pregn-5,16-dienolone 20-oxime
- Pregna-5,16-diene-20-one oxime, 3«beta»-hydroxy
- Pregna-5,16-dien-20-one, 3-hydroxy-, oxime, (3«beta»)-
- Pregna-5,16-diene-20-one oxime, 3beta-hydroxy
- 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 | -365.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.59 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.697 | Crippen Calculated Property | |
| McVol | 272.130 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Tboil | 988.53 | K | Joback Calculated Property |
| Tc | 1220.43 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,16-Pregnenolone oxime.
Sources
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