- InChI
- InChI=1S/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H
- InChI Key
- QVQSOXMXXFZAKU-UHFFFAOYSA-N
- Formula
- C6H3ClN2O4
- SMILES
-
O=[N+]([O-])c1ccc(Cl)cc1[N+](=
O)[O-] - Molecular Weight1
- 202.55
- CAS
- 610-40-2
- Other Names
-
- 1-Chloro-3,4-dinitrobenzene
- 3,4-Dinitrochlorobenzene
- 3,4-Dinitro-1-chlorobenzene
- 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 | 0.6031 | Relay (... Calculated Property | |
| ΔfG° | 151.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.90 | kJ/mol | Relay (... Calculated Property |
| IE | 10.17 | eV | Relay (... Calculated Property |
| log10WS | -3.92 | Relay (... Calculated Property | |
| logPoct/wat | 2.156 | Crippen Calculated Property | |
| McVol | 118.720 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 542.05 | K | Relay (... Calculated Property |
| Tc | 833.39 | K | Relay (... Calculated Property |
| Tfus | 347.61 | K | Relay (... Calculated Property |
| Vc | 0.411 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.81; 304.79] | J/mol×K | [714.43; 997.45] | 
|
| Cp,gas | 269.81 | J/mol×K | 714.43 | Joback Calculated Property |
| Cp,gas | 277.51 | J/mol×K | 761.60 | Joback Calculated Property |
| Cp,gas | 284.39 | J/mol×K | 808.77 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 855.94 | Joback Calculated Property |
| Cp,gas | 295.91 | J/mol×K | 903.11 | Joback Calculated Property |
| Cp,gas | 300.65 | J/mol×K | 950.28 | Joback Calculated Property |
| Cp,gas | 304.79 | J/mol×K | 997.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-chloro-1,2-dinitro-.
Sources
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