- InChI
- InChI=1S/C10H12N4O5/c1-6(7(2)15)11-12-9-4-3-8(13(16)17)5-10(9)14(18)19/h3-5,7,12,15H,1-2H3
- InChI Key
- CWIVDHFDRDDERB-UHFFFAOYSA-N
- Formula
- C10H12N4O5
- SMILES
-
CC(=NNc1ccc([N+](=O)[O-])cc1[N
+](=O)[O-])C(C)O - Molecular Weight1
- 268.23
- CAS
- 35015-94-2
- 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 | 0.9336 | Relay (... Calculated Property | |
| ΔfG° | 246.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -43.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -2.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.672 | Crippen Calculated Property | |
| McVol | 184.370 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 611.07 | K | Relay (... Calculated Property |
| Tc | 941.46 | K | Relay (... Calculated Property |
| Tfus | 416.17 | K | Relay (... Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-hydroxy-, (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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