- InChI
- InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
- InChI Key
- LXQOQPGNCGEELI-UHFFFAOYSA-N
- Formula
- C6H5N3O4
- SMILES
-
Nc1ccc([N+](=O)[O-])cc1[N+](=O
)[O-] - Molecular Weight1
- 183.12
- CAS
- 97-02-9
- Other Names
-
- 1-amino-2,4-dinitrobenzene
- 2,4-Dinitraniline
- 2,4-Dinitroanilin
- 2,4-Dinitroanilina
- 2,4-dinitroaniline
- 2,4-dinitrobenzenamine
- NCI-C60753
- NSC 8731
- aniline, 2,4-dinitro-
- 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 | [-3010.00; -3005.00] | kJ/mol |
|
| ΔcH°solid | -3010.00 | kJ/mol | NIST |
| ΔcH°solid | -3005.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -3009.40 | kJ/mol | NIST |
| ΔcH°solid | -3007.71 | kJ/mol | NIST |
| ΔfG° | 230.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 58.69 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-70.30; -65.70] | kJ/mol |
|
| ΔfH°solid | -65.70 | kJ/mol | NIST |
| ΔfH°solid | -70.30 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -66.27 | kJ/mol | NIST |
| ΔfH°solid | -67.95 | kJ/mol | NIST |
| ΔfusH° | 32.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 1.085 | Crippen Calculated Property | |
| McVol | 116.460 | ml/mol | McGowan Calculated Property |
| Pc | 5015.69 | kPa | Joback Calculated Property |
| Tboil | 749.53 | K | Joback Calculated Property |
| Tc | 1034.10 | K | Joback Calculated Property |
| Tfus | [451.20; 453.05] | K |
|
| Tfus | 451.20 | K | Solubil... |
| Tfus | 453.05 ± 0.30 | K | NIST |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.44; 335.82] | J/mol×K | [749.53; 1034.10] |
|
| Cp,gas | 298.44 | J/mol×K | 749.53 | Joback Calculated Property |
| Cp,gas | 306.66 | J/mol×K | 796.96 | Joback Calculated Property |
| Cp,gas | 314.01 | J/mol×K | 844.39 | Joback Calculated Property |
| Cp,gas | 320.54 | J/mol×K | 891.81 | Joback Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 939.24 | Joback Calculated Property |
| Cp,gas | 331.39 | J/mol×K | 986.67 | Joback Calculated Property |
| Cp,gas | 335.82 | J/mol×K | 1034.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2,4-dinitro-.
Mixtures
- Acetonitrile + Benzenamine, 2,4-dinitro-
- Benzenamine, 2,4-dinitro- + Ethyl Acetate
- Ethanol + Benzenamine, 2,4-dinitro-
- 1-Propanol + Benzenamine, 2,4-dinitro-
- Isopropyl Alcohol + Benzenamine, 2,4-dinitro-
- Benzenamine, 2,4-dinitro- + Acetone
- Toluene + Benzenamine, 2,4-dinitro-
- Benzenamine, 2,4-dinitro- + 1-Butanol
- Benzenamine, 2,4-dinitro- + Methyl Alcohol
Sources
- Crippen Method
- Crippen Method
- Solubility determination and thermodynamic modeling of 2,4-dinitroaniline in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions
- Joback Method
- McGowan Method
- NIST Webbook
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