- InChI
- InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
- InChI Key
- RZKKOBGFCAHLCZ-UHFFFAOYSA-N
- Formula
- C6H3Cl2NO2
- SMILES
- O=[N+]([O-])c1cc(Cl)ccc1Cl
- Molecular Weight1
- 192.00
- CAS
- 89-61-2
- Other Names
-
- Nitro-p-dichlorobenzene
- 1,4-Dichloro-2-nitrobenzene
- 2,5-Dichloronitrobenzene
- Benzene, 2,5-dichloronitro-
- 1-Nitro-2,5-dichlorobenzene
- 2,5-Dichlornitrobenzen
- Benzene, 1-nitro-2,5-dichloro-
- NSC 406125
- 2,5-dichloronitrobenezene
- 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔfG° | 104.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 4.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.31 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 87.40 ± 2.40 | kJ/mol | NIST |
| ΔvapH° | 57.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.902 | Crippen Calculated Property | |
| McVol | 113.540 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 540.20 | K | NIST |
| Tc | 864.46 | K | Joback Calculated Property |
| Tfus | [326.65; 327.00] | K |
|
| Tfus | 326.65 ± 0.20 | K | NIST |
| Tfus | 326.75 ± 0.15 | K | NIST |
| Tfus | 327.00 ± 2.00 | K | NIST |
| Vc | 0.444 | m3/kmol | Joback 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 Benzene, 1,4-dichloro-2-nitro-.
Sources
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