- InChI
- InChI=1S/C11H12N4O4/c1-3-4-8(2)12-13-10-6-5-9(14(16)17)7-11(10)15(18)19/h3-7,13H,1-2H3/b4-3+,12-8+
- InChI Key
- WSGQQBRVKFRFJN-ALUKSYHCSA-N
- Formula
- C11H12N4O4
- SMILES
-
CC=CC(C)=NNc1ccc([N+](=O)[O-])
cc1[N+](=O)[O-] - Molecular Weight1
- 264.24
- CAS
- 4938-74-3
- 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 | 0.7800 | Relay (... Calculated Property | |
| ΔfG° | 397.37 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 203.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -3.64 | Relay (... Calculated Property | |
| logPoct/wat | 2.867 | Crippen Calculated Property | |
| McVol | 188.290 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Tboil | 602.04 | K | Relay (... Calculated Property |
| Tc | 919.34 | K | Relay (... Calculated Property |
| Tfus | 422.81 | K | Relay (... Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-one, 2,4-dinitrophenylhydrazone.
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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