- InChI
- InChI=1S/C19H27NO3/c1-18-9-7-13(23-20-22)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3
- InChI Key
- HXNFSAGZLTWCLH-UHFFFAOYSA-N
- Formula
- C19H27NO3
- SMILES
-
CC12CCC3C(CC=C4CC(ON=O)CCC43C)
C1CCC2=O - Molecular Weight1
- 317.42
- CAS
- 99099-00-0
- 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 | -577.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.585 | Crippen Calculated Property | |
| McVol | 249.820 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Tboil | 831.35 | K | Joback Calculated Property |
| Tc | 1075.66 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androst-5-en-17-one-3beta- nitrite.
Sources
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