- InChI
- InChI=1S/C12H10N4O4/c17-15(18)11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)16(19)20/h1-8,13-14H
- InChI Key
- YYEMGPZOKZIEAB-UHFFFAOYSA-N
- Formula
- C12H10N4O4
- SMILES
-
O=[N+]([O-])c1ccc(NNc2ccc([N+]
(=O)[O-])cc2)cc1 - Molecular Weight1
- 274.23
- CAS
- 22719-28-4
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -6260.90 | kJ/mol | NIST |
| ΔfG° | 505.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 244.53 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 109.60 | kJ/mol | NIST |
| ΔfusH° | 47.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 2.942 | Crippen Calculated Property | |
| McVol | 187.220 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Tboil | 941.30 | K | Joback Calculated Property |
| Tc | 1220.39 | K | Joback Calculated Property |
| Tfus | 695.42 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.38; 591.09] | J/mol×K | [941.30; 1220.39] | 
|
| Cp,gas | 550.38 | J/mol×K | 941.30 | Joback Calculated Property |
| Cp,gas | 559.35 | J/mol×K | 987.82 | Joback Calculated Property |
| Cp,gas | 567.30 | J/mol×K | 1034.33 | Joback Calculated Property |
| Cp,gas | 574.32 | J/mol×K | 1080.85 | Joback Calculated Property |
| Cp,gas | 580.56 | J/mol×K | 1127.36 | Joback Calculated Property |
| Cp,gas | 586.11 | J/mol×K | 1173.88 | Joback Calculated Property |
| Cp,gas | 591.09 | J/mol×K | 1220.39 | Joback Calculated Property |
Similar Compounds
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Sources
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