- InChI
- InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
- InChI Key
- CMVQZRLQEOAYSW-UHFFFAOYSA-N
- Formula
- C6H3Cl2NO2
- SMILES
- O=[N+]([O-])c1cccc(Cl)c1Cl
- Molecular Weight1
- 192.00
- CAS
- 3209-22-1
- Other Names
-
- 1,2-Dichloro-3-nitrobenzene
- 2,3-Dichloro-1-nitrobenzene
- 2,3-Dichloronitrobenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4891 | Relay (1.0) Calculated Property | |
| EA | 1.29 ± 0.05 | eV | NIST |
| ΔfG° | 104.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.48; -3.48] |
|
|
| log10WS | -3.48 | Aq. Solubility Prediction | |
| log10WS | -3.48 | Estimated Solubility | |
| logPoct/wat | 2.902 | Crippen Calculated Property | |
| McVol | 113.540 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Inp | [241.00; 1344.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 241.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 241.00 | NIST | |
| I | [2137.00; 2137.00] |
|
|
| I | 2137.00 | NIST | |
| I | 2137.00 | NIST | |
| Tboil | 530.70 | K | NIST |
| Tc | 816.37 | K | Relay (1.0) Calculated Property |
| Tfus | [333.00; 334.98] | K |
|
| Tfus | 334.98 | K | Aq. Solubility Prediction |
| Tfus | 334.90 | K | Solubility of Dichloronitrobenzene in Eight Organic Solvents from T = (278.15 to 303.15) K: Measurement and Thermodynamic Modeling |
| Tfus | 333.52 ± 0.25 | K | NIST |
| Tfus | 334.05 ± 0.15 | K | NIST |
| Tfus | 333.00 ± 2.00 | K | NIST |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.83; 255.28] | J/mol×K | [600.02; 864.46] |
|
| Cp,gas | 217.83 | J/mol×K | 600.02 | Joback Calculated Property |
| Cp,gas | 225.66 | J/mol×K | 644.09 | Joback Calculated Property |
| Cp,gas | 232.80 | J/mol×K | 688.17 | Joback Calculated Property |
| Cp,gas | 239.30 | J/mol×K | 732.24 | Joback Calculated Property |
| Cp,gas | 245.19 | J/mol×K | 776.31 | Joback Calculated Property |
| Cp,gas | 250.50 | J/mol×K | 820.39 | Joback Calculated Property |
| Cp,gas | 255.28 | J/mol×K | 864.46 | Joback Calculated Property |
| ρl | 1533.00 | kg/m3 | 348.15 | Vapor pressure and isobaric vapor-liquid equilibrium for dichloronitrobenzene isomers |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dichloro-3-nitro-.
Mixtures
- Benzene, 1,2-dichloro-3-nitro- + Ethyl Acetate
- Benzene, 1,2-dichloro-3-nitro- + Carbon Tetrachloride
- Benzene, 1,2-dichloro-3-nitro- + Cyclohexane
- n-Hexane + Benzene, 1,2-dichloro-3-nitro-
- Benzene, 1,2-dichloro-3-nitro- + Heptane
- Isopropyl Alcohol + Benzene, 1,2-dichloro-3-nitro-
- 1-Butanol + Benzene, 1,2-dichloro-3-nitro-
- 1-Propanol + Benzene, 1,2-dichloro-3-nitro-
- Benzene, 1,2-dichloro-3-nitro- + Methyl Alcohol + Water
- Ethanol + Benzene, 1,2-dichloro-3-nitro- + Water
- 1-Propanol + Benzene, 1,2-dichloro-3-nitro-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vapor pressure and isobaric vapor-liquid equilibrium for dichloronitrobenzene isomers
- Measurement and calculation of solid liquid equilibrium for ternary systems of 3,4-dichloronitrobenzene + 2,3-dichloronitrobenzene + ethanol/n-propanol
- Solubility of Dichloronitrobenzene in Eight Organic Solvents from T = (278.15 to 303.15) K: Measurement and Thermodynamic Modeling
- Experimental Measurement and Modeling of Solubility Data for 2,3-Dichloronitrobenzene in Methanol, Ethanol, and Liquid Mixtures (Methanol + Water, Ethanol + Water)
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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