- InChI
- InChI=1S/C12H14N4O4/c1-8-2-3-9(6-8)13-14-11-5-4-10(15(17)18)7-12(11)16(19)20/h4-5,7-8,14H,2-3,6H2,1H3/b13-9-
- InChI Key
- VFFFGFXWGACQQI-LCYFTJDESA-N
- Formula
- C12H14N4O4
- SMILES
-
CC1CCC(=NNc2ccc([N+](=O)[O-])c
c2[N+](=O)[O-])C1 - Molecular Weight1
- 278.26
- 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 | 0.8135 | Relay (... Calculated Property | |
| ΔfG° | 374.55 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 137.55 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -3.93 | Relay (... Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Tboil | 618.74 | K | Relay (... Calculated Property |
| Tc | 958.48 | K | Relay (... Calculated Property |
| Tfus | 400.96 | K | Relay (... Calculated Property |
| Vc | 0.668 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylcyclopentanone 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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