- InChI
- InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
- InChI Key
- UQRLKWGPEVNVHT-UHFFFAOYSA-N
- Formula
- C6H5Cl2N
- SMILES
- Nc1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 162.02
- CAS
- 626-43-7
- Other Names
-
- 3,5-dichloroaminobenzene
- 3,5-dichloroaniline
- aniline, 3,5-dichloro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 26.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.576 | Crippen Calculated Property | |
| McVol | 106.100 | ml/mol | McGowan Calculated Property |
| Inp | [1347.00; 1352.00] |
|
|
| Inp | 1349.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Ip | [2469.00; 2469.00] |
|
|
| Ip | 2469.00 | NIST | |
| Ip | 2469.00 | NIST | |
| Tboil | 532.00 ± 1.00 | K | NIST |
| Tfus | [323.16; 325.15] | K |
|
| Tfus | 323.16 | K | Determination and thermodynamic modeling of solid-liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system |
| Tfus | 325.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 533.20 | K | 98.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.79; 256.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.44000e+01 | |||
| Coefficient B | 4.51400e-01 | |||
| Coefficient C | -2.83920e-04 | |||
| Coefficient D | 6.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 172.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 206.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 231.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 241.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 249.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 256.78 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 3,5-dichloro-.
Mixtures
- 1-Propanol + Benzenamine, 3,5-dichloro-
- 2-Propanol + Benzenamine, 3,5-dichloro-
- 1-Butanol + Benzenamine, 3,5-dichloro-
- 1-Propanol, 2-methyl- + Benzenamine, 3,5-dichloro-
- Toluene + Benzenamine, 3,5-dichloro-
- Benzenamine, 3,5-dichloro- + Ethyl Acetate
- Acetone + Benzenamine, 3,5-dichloro-
- Toluene + Benzenamine, 3,5-dichloro- + Benzene, 1,3,5-trichloro-
- Benzenamine, 3,5-dichloro- + Methyl Alcohol + Water
- Ethanol + Benzenamine, 3,5-dichloro- + Water
- Benzenamine, 3,5-dichloro- + Methyl Alcohol
- Ethanol + Benzenamine, 3,5-dichloro-
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Determination and thermodynamic modeling of solid-liquid phase equilibrium for 3,5-dichloroaniline in pure solvents and ternary 3,5-dichloroaniline + 1,3,5-trichlorobenzene + toluene system
- Measurement and Correlation of the Vapor Pressure of 3,5-Dichloroaniline
- Solubility Measurement and Correlation for 3,5-Dichloroaniline in (Methanol + Water) and (Ethanol + Water) Mixed Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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