- InChI
- InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
- InChI Key
- BRPSAOUFIJSKOT-UHFFFAOYSA-N
- Formula
- C6H5Cl2N
- SMILES
- Nc1cccc(Cl)c1Cl
- Molecular Weight1
- 162.02
- CAS
- 608-27-5
- Other Names
-
- Aniline, 2,3-dichloro-
- 2,3-Dichloroaniline
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4477 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.15 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.20 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 62.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) 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 | [1301.00; 1312.70] |
|
|
| Inp | 1312.70 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1312.70 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1306.00 | NIST | |
| I | [2261.00; 2261.00] |
|
|
| I | 2261.00 | NIST | |
| I | 2261.00 | NIST | |
| I | 2261.00 | NIST | |
| Tboil | 525.20 | K | NIST |
| Tc | 801.27 | K | Relay (1.0) Calculated Property |
| Tfus | 326.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.67; 232.74] | J/mol×K | [520.91; 765.90] |
|
| Cp,gas | 191.67 | J/mol×K | 520.91 | Joback Calculated Property |
| Cp,gas | 199.88 | J/mol×K | 561.74 | Joback Calculated Property |
| Cp,gas | 207.51 | J/mol×K | 602.57 | Joback Calculated Property |
| Cp,gas | 214.58 | J/mol×K | 643.40 | Joback Calculated Property |
| Cp,gas | 221.13 | J/mol×K | 684.24 | Joback Calculated Property |
| Cp,gas | 227.17 | J/mol×K | 725.07 | Joback Calculated Property |
| Cp,gas | 232.74 | J/mol×K | 765.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2,3-dichloro-.
Sources
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