- InChI
- InChI=1S/C12H14N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h4-9,14H,2-3H2,1H3/b5-4+,13-8+
- InChI Key
- RRKSQJQLBKPGCP-VDXACTLNSA-N
- Formula
- C12H14N4O4
- SMILES
-
CCCC=CC=NNc1ccc([N+](=O)[O-])c
c1[N+](=O)[O-] - Molecular Weight1
- 278.26
- CAS
- 1560-68-5
- 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).
- 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 | 0.8415 | Relay (... Calculated Property | |
| ΔfG° | 419.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 186.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -4.43 | Relay (... Calculated Property | |
| logPoct/wat | 3.257 | Crippen Calculated Property | |
| McVol | 202.380 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Tboil | 611.77 | K | Relay (... Calculated Property |
| Tc | 927.85 | K | Relay (... Calculated Property |
| Tfus | 390.46 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenal, 2,4-dinitrophenyl hydrazone.
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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