- InChI
- InChI=1S/C13H18N4O4/c1-9(2)4-5-10(3)14-15-12-7-6-11(16(18)19)8-13(12)17(20)21/h6-9,15H,4-5H2,1-3H3/b14-10+
- InChI Key
- RBVLNDINMWKLOR-GXDHUFHOSA-N
- Formula
- C13H18N4O4
- SMILES
-
CC(CCC(C)C)=NNc1ccc([N+](=O)[O
-])cc1[N+](=O)[O-] - Molecular Weight1
- 294.31
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8812 | Relay (... Calculated Property | |
| ΔfG° | 361.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 62.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 95.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -4.27 | Relay (... Calculated Property | |
| logPoct/wat | 3.727 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 2584.00 | NIST | |
| Tboil | 611.10 | K | Relay (... Calculated Property |
| Tc | 918.62 | K | Relay (... Calculated Property |
| Tfus | 384.59 | K | Relay (... Calculated Property |
| Vc | 0.751 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dinitrophenylhydrazone 2-methyl-5-hexanone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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