- InChI
- InChI=1S/C10H12N4O4/c1-3-7(2)11-12-9-5-4-8(13(15)16)6-10(9)14(17)18/h4-6,12H,3H2,1-2H3
- InChI Key
- WPWSANGSIWAACK-UHFFFAOYSA-N
- Formula
- C10H12N4O4
- SMILES
-
CCC(C)=NNc1ccc([N+](=O)[O-])cc
1[N+](=O)[O-] - Molecular Weight1
- 252.23
- CAS
- 958-60-1
- 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 | 0.7994 | Relay (... Calculated Property | |
| ΔfG° | 353.79 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 124.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -3.39 | Relay (... Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 178.500 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [2325.80; 2356.00] |
|
|
| Inp | 2356.00 | NIST | |
| Inp | 2325.80 | NIST | |
| Inp | 2325.80 | NIST | |
| Tboil | 586.11 | K | Relay (... Calculated Property |
| Tc | 898.44 | K | Relay (... Calculated Property |
| Tfus | 400.98 | K | Relay (... Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, (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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