- InChI
- InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H
- InChI Key
- RHTVQEPJVKUMPI-UHFFFAOYSA-N
- Formula
- C12H9N3O4
- SMILES
-
O=[N+]([O-])c1ccc(Nc2ccccc2)c(
[N+](=O)[O-])c1 - Molecular Weight1
- 259.22
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion 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 | 0.7554 | Relay (1.0) Calculated Property | |
| ΔfG° | 416.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 172.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.37 | kJ/mol | Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures |
| ΔvapH° | 100.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.247 | Crippen Calculated Property | |
| McVol | 177.240 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 636.18 | K | Relay (1.0) Calculated Property |
| Tc | 1004.71 | K | Relay (1.0) Calculated Property |
| Tfus | 431.35 | K | Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.88; 548.06] | J/mol×K | [891.13; 1175.86] | 
|
| Cp,gas | 503.88 | J/mol×K | 891.13 | Joback Calculated Property |
| Cp,gas | 513.65 | J/mol×K | 938.58 | Joback Calculated Property |
| Cp,gas | 522.29 | J/mol×K | 986.04 | Joback Calculated Property |
| Cp,gas | 529.94 | J/mol×K | 1033.49 | Joback Calculated Property |
| Cp,gas | 536.71 | J/mol×K | 1080.95 | Joback Calculated Property |
| Cp,gas | 542.71 | J/mol×K | 1128.40 | Joback Calculated Property |
| Cp,gas | 548.06 | J/mol×K | 1175.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dinitrodiphenylamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Measurement and prediction of (solid + liquid) equilibria of gun powder's and propellant's stabilizers mixtures
- Joback Method
- McGowan Method
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