- InChI
- InChI=1S/C12H16N4O4/c1-8(12(2,3)4)13-14-10-6-5-9(15(17)18)7-11(10)16(19)20/h5-7,14H,1-4H3
- InChI Key
- OMNJXFSXEYYSRY-UHFFFAOYSA-N
- Formula
- C12H16N4O4
- SMILES
-
CC(=NNc1ccc([N+](=O)[O-])cc1[N
+](=O)[O-])C(C)(C)C - Molecular Weight1
- 280.28
- CAS
- 964-53-4
- Other Names
-
- 2-Butanone, 3,3-dimethyl-, (2,4-dinitrophenyl)hydrazone
- 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 | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 3.337 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | 2433.00 | NIST | |
| Tboil | 937.78 | K | Joback Calculated Property |
| Tc | 1205.87 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethyl-2-butanone, 2,4-dinitrophenyl hydrazone.
Sources
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