- InChI
- InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
- InChI Key
- IWFHBRFJOHTIPU-UHFFFAOYSA-N
- Formula
- C6H6Cl2N2
- SMILES
- Nc1cc(Cl)c(Cl)cc1N
- Molecular Weight1
- 177.03
- CAS
- 5348-42-5
- Other Names
-
- 4,5-Dichloro-1,2-phenylenediamine
- 4,5-Dichloro-o-phenylenediamine
- 1,2-Benzenediamine, 4,5-dichloro-
- o-Phenylenediamine, 4,5-dichloro-
- 1,2-Diamino-4,5-dichlorobenzene
- 1,2-Dichloro-4,5-diaminobenzene
- 4,5-Dichloro-o-phenylendiamine
- 4,5-Dichloro-1,2-benzenediamine
- 2-Amino-4,5-dichloroaniline
- NSC 1577
- 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).
- 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° | 192.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 2.158 | Crippen Calculated Property | |
| McVol | 116.080 | ml/mol | McGowan Calculated Property |
| Pc | 4640.32 | kPa | Joback Calculated Property |
| Tboil | 598.22 | K | Joback Calculated Property |
| Tc | 852.55 | K | Joback Calculated Property |
| Tfus | 447.72 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.43; 274.50] | J/mol×K | [598.22; 852.55] | 
|
| Cp,gas | 234.43 | J/mol×K | 598.22 | Joback Calculated Property |
| Cp,gas | 242.49 | J/mol×K | 640.61 | Joback Calculated Property |
| Cp,gas | 249.97 | J/mol×K | 683.00 | Joback Calculated Property |
| Cp,gas | 256.88 | J/mol×K | 725.39 | Joback Calculated Property |
| Cp,gas | 263.26 | J/mol×K | 767.77 | Joback Calculated Property |
| Cp,gas | 269.12 | J/mol×K | 810.16 | Joback Calculated Property |
| Cp,gas | 274.50 | J/mol×K | 852.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-Dichloro-ortho-phenylenediamine.
Sources
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