- InChI
- InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
- InChI Key
- FSGTULQLEVAYRS-UHFFFAOYSA-N
- Formula
- C6H4Cl2N2O2
- SMILES
- Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
- Molecular Weight1
- 207.01
- CAS
- 6641-64-1
- Other Names
-
- Benzenamine, 4,5-dichloro-2-nitro-
- 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).
- ΔsubH : Enthalpy of sublimation 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° | 161.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.12 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 109.40 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 69.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.484 | Crippen Calculated Property | |
| McVol | 123.520 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Tboil | 677.53 | K | Joback Calculated Property |
| Tc | 948.30 | K | Joback Calculated Property |
| Tfus | 508.07 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.08; 295.51] | J/mol×K | [677.53; 948.30] | 
|
| Cp,gas | 260.08 | J/mol×K | 677.53 | Joback Calculated Property |
| Cp,gas | 267.57 | J/mol×K | 722.66 | Joback Calculated Property |
| Cp,gas | 274.37 | J/mol×K | 767.79 | Joback Calculated Property |
| Cp,gas | 280.54 | J/mol×K | 812.91 | Joback Calculated Property |
| Cp,gas | 286.09 | J/mol×K | 858.04 | Joback Calculated Property |
| Cp,gas | 291.07 | J/mol×K | 903.17 | Joback Calculated Property |
| Cp,gas | 295.51 | J/mol×K | 948.30 | Joback Calculated Property |
| ΔsubH | 108.40 ± 0.70 | kJ/mol | 359.00 | NIST |
Similar Compounds
Find more compounds similar to 4,5-Dichloro-2-nitroaniline.
Sources
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