- InChI
- InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
- InChI Key
- RNABGKOKSBUFHW-UHFFFAOYSA-N
- Formula
- C6H3Cl2NO2
- SMILES
- O=[N+]([O-])c1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 192.00
- CAS
- 618-62-2
- Other Names
-
- Benzene, 1,3-dichloro-5-nitro-
- m-Dichloronitrobenzene
- meta-Dichloronitrobenzene
- 1,3-Dichloro-5-nitrobenzene
- 3,5-Dichloro-1-nitrobenzene
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 | 0.5016 | Relay (1.0) Calculated Property | |
| EA | [1.50; 1.55] | eV |
|
| EA | 1.55 ± 0.09 | eV | NIST |
| EA | 1.50 ± 0.09 | eV | NIST |
| ΔfG° | 104.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.31 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 83.20 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 69.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.902 | Crippen Calculated Property | |
| McVol | 113.540 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Inp | 1288.00 | NIST | |
| I | 1887.00 | NIST | |
| Tboil | 523.86 | K | Relay (1.0) Calculated Property |
| Tc | 793.16 | K | Relay (1.0) Calculated Property |
| Tfus | 338.00 ± 2.00 | K | NIST |
| Vc | 0.393 | 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 |
Similar Compounds
Find more compounds similar to 3,5-Dichloronitrobenzene.
Sources
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