- InChI
- InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H
- InChI Key
- BPPMIQPXQVIZNJ-UHFFFAOYSA-N
- Formula
- C6H3ClN2O4
- SMILES
-
O=[N+]([O-])c1cccc([N+](=O)[O-
])c1Cl - Molecular Weight1
- 202.55
- CAS
- 606-21-3
- Other Names
-
- Benzene, 2-chloro-1,3-dinitro-
- 1,3-Dinitro-2-chlorobenzene
- 2-Chloro-1,3-dinitrobenzene
- 2-Chloro-1,3-dintrobenzene
- 2,6-Dinitrochlorobenzene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔfG° | 151.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen 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 | 714.43 | K | Joback Calculated Property |
| Tc | 997.45 | K | Joback Calculated Property |
| Tfus | 525.98 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback 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 |
| ΔfusH | 18.95 | kJ/mol | 361.20 | NIST |
Similar Compounds
Find more compounds similar to 1-Chloro-2,6-dinitrobenzene.
Sources
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