- InChI
- InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChI Key
- KQCMTOWTPBNWDB-UHFFFAOYSA-N
- Formula
- C6H5Cl2N
- SMILES
- Nc1ccc(Cl)cc1Cl
- Molecular Weight1
- 162.02
- CAS
- 554-00-7
- Other Names
-
- Aniline, 2,4-dichloro-
- 2,4-Dichloroaniline
- 2,4-Dichloranilin
- 2,4-Dichlorobenzenamine
- 2,4-Dichlorophenylamine
- o,p-Dichloroaniline
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | 135.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.15 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 84.70 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 51.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| McVol | 106.100 | ml/mol | McGowan Calculated Property |
| Pc | 4385.77 | kPa | Joback Calculated Property |
| Inp | [1284.00; 1324.00] |
|
|
| Inp | 1323.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1284.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1287.00 | NIST | |
| I | [2203.00; 2203.00] |
|
|
| I | 2203.00 | NIST | |
| I | 2203.00 | NIST | |
| Tboil | 518.20 | K | NIST |
| Tc | 765.61 | K | Joback Calculated Property |
| Tfus | 336.00 ± 4.00 | K | NIST |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.63; 232.70] | J/mol×K | [520.71; 765.61] |
|
| Cp,gas | 191.63 | J/mol×K | 520.71 | Joback Calculated Property |
| Cp,gas | 199.84 | J/mol×K | 561.53 | Joback Calculated Property |
| Cp,gas | 207.47 | J/mol×K | 602.34 | Joback Calculated Property |
| Cp,gas | 214.54 | J/mol×K | 643.16 | Joback Calculated Property |
| Cp,gas | 221.09 | J/mol×K | 683.97 | Joback Calculated Property |
| Cp,gas | 227.13 | J/mol×K | 724.79 | Joback Calculated Property |
| Cp,gas | 232.70 | J/mol×K | 765.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2,4-dichloro-.
Sources
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