- InChI
- InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
- InChI Key
- ISJBQSJDQZLCSF-UHFFFAOYSA-N
- Formula
- C6H7Cl2N
- SMILES
- Cl.Nc1ccc(Cl)cc1
- Molecular Weight1
- 164.04
- CAS
- 20265-96-7
- ω : Acentric Factor.
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (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 |
|---|---|---|---|
| ω | 0.3336 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -18.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| Pc | 4618.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 524.43 | K | Relay (1.0) Calculated Property |
| Tc | 696.47 | K | Relay (1.0) Calculated Property |
| Tfus | 440.14 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 77.80 | kJ/mol | 428.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.64] | kPa | [373.00; 571.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.85588e+01 | |||
| Coefficient B | -7.53636e+03 | |||
| Coefficient C | -3.04400e+00 | |||
| Temperature range, min. | 373.00 | |||
| Temperature range, max. | 571.94 | |||
| Pvap | 0.16 | kPa | 373.00 | Calculated Property |
| Pvap | 0.51 | kPa | 395.10 | Calculated Property |
| Pvap | 1.44 | kPa | 417.21 | Calculated Property |
| Pvap | 3.61 | kPa | 439.31 | Calculated Property |
| Pvap | 8.31 | kPa | 461.42 | Calculated Property |
| Pvap | 17.70 | kPa | 483.52 | Calculated Property |
| Pvap | 35.29 | kPa | 505.63 | Calculated Property |
| Pvap | 66.37 | kPa | 527.73 | Calculated Property |
| Pvap | 118.62 | kPa | 549.84 | Calculated Property |
| Pvap | 202.64 | kPa | 571.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloroaniline hydrochloride.
Sources
- 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.
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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