- InChI
- InChI=1S/C12H16N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h6-9,14H,2-5H2,1H3
- InChI Key
- SJUYYAXVFFVQNX-UHFFFAOYSA-N
- Formula
- C12H16N4O4
- SMILES
-
CCCCCC=NNc1ccc([N+](=O)[O-])cc
1[N+](=O)[O-] - Molecular Weight1
- 280.28
- CAS
- 1527-97-5
- Other Names
-
- (2,4-Dinitrophenyl)hydrazone of hexanal
- n-Hexanal, 2,4-dinitrophenylhydrazone
- 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 | 0.9177 | Relay (1.0) Calculated Property | |
| ΔfG° | 382.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 102.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2189.73 | kPa | Joback Calculated Property |
| Inp | 2568.00 | NIST | |
| Tboil | 608.56 | K | Relay (1.0) Calculated Property |
| Tc | 926.79 | K | Relay (1.0) Calculated Property |
| Tfus | 378.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, (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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