- InChI
- InChI=1S/C15H12N8O8/c1-9(17-19-13-5-3-11(21(26)27)7-15(13)23(30)31)8-16-18-12-4-2-10(20(24)25)6-14(12)22(28)29/h2-8,18-19H,1H3
- InChI Key
- MYLXEBSTNQBXAJ-UHFFFAOYSA-N
- Formula
- C15H12N8O8
- SMILES
-
CC(C=NNc1ccc([N+](=O)[O-])cc1[
N+](=O)[O-])=NNc1ccc([N+](=O)[ O-])cc1[N+](=O)[O-] - Molecular Weight1
- 432.30
- CAS
- 1107-69-3
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 1.2232 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7795.00 | kJ/mol | NIST |
| ΔfG° | 654.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 431.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 160.00 | kJ/mol | NIST |
| ΔvapH° | 139.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.205 | Crippen Calculated Property | |
| McVol | 275.690 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Tboil | 701.12 | K | Relay (1.0) Calculated Property |
| Tc | 1191.50 | K | Relay (1.0) Calculated Property |
| Tfus | 486.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylglyoxal 2,4-dinitrophenylosazone.
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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