- InChI
- InChI=1S/C12H15N3O2/c1-3-4-5-10(2)13-14-11-6-8-12(9-7-11)15(16)17/h3,6-9,14H,1,4-5H2,2H3/b13-10+
- InChI Key
- AZWOVWJAEWTVGJ-JLHYYAGUSA-N
- Formula
- C12H15N3O2
- SMILES
-
C=CCCC(C)=NNc1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 233.27
- CAS
- 116435-43-9
- 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 | 0.6991 | Relay (1.0) Calculated Property | |
| ΔfG° | 395.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 203.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.349 | Crippen Calculated Property | |
| McVol | 184.960 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Tboil | 619.02 | K | Relay (1.0) Calculated Property |
| Tc | 867.03 | K | Relay (1.0) Calculated Property |
| Tfus | 353.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-2-one-p-nitro-phenyl 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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