- InChI
- InChI=1S/C12H16N4O4/c1-3-4-5-9(2)13-14-11-7-6-10(15(17)18)8-12(11)16(19)20/h6-8,14H,3-5H2,1-2H3
- InChI Key
- ZQAHBVPRAUEYPQ-UHFFFAOYSA-N
- Formula
- C12H16N4O4
- SMILES
-
CCCCC(C)=NNc1ccc([N+](=O)[O-])
cc1[N+](=O)[O-] - Molecular Weight1
- 280.28
- CAS
- 2348-17-6
- 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 | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | 2527.00 | NIST | |
| Tboil | 941.01 | K | Joback Calculated Property |
| Tc | 1197.47 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, (2,4-dinitrophenyl)hydrazone.
Sources
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