- InChI
- InChI=1S/C12H16N4O4/c1-3-9(4-2)8-13-14-11-6-5-10(15(17)18)7-12(11)16(19)20/h5-9,14H,3-4H2,1-2H3
- InChI Key
- PJQWUVGTXBCLCM-UHFFFAOYSA-N
- Formula
- C12H16N4O4
- SMILES
-
CCC(C=NNc1ccc([N+](=O)[O-])cc1
[N+](=O)[O-])CC - Molecular Weight1
- 280.28
- 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 | 0.8573 | Relay (1.0) Calculated Property | |
| ΔfG° | 380.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 88.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.337 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | [2487.00; 2487.00] |
|
|
| Inp | 2487.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Tboil | 602.51 | K | Relay (1.0) Calculated Property |
| Tc | 921.23 | K | Relay (1.0) Calculated Property |
| Tfus | 384.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dinitrophenylhydrazone 2-ethylbutanal.
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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