- InChI
- InChI=1S/C13H18N4O4/c1-3-5-10(6-4-2)14-15-12-8-7-11(16(18)19)9-13(12)17(20)21/h7-9,15H,3-6H2,1-2H3
- InChI Key
- PUGYZTOHWZGYEY-UHFFFAOYSA-N
- Formula
- C13H18N4O4
- SMILES
-
CCCC(CCC)=NNc1ccc([N+](=O)[O-]
)cc1[N+](=O)[O-] - Molecular Weight1
- 294.31
- CAS
- 1655-41-0
- 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 | 6.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 3.871 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Tboil | 963.89 | K | Joback Calculated Property |
| Tc | 1216.84 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanone, (2,4-dinitrophenyl)hydrazone.
Sources
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