- InChI
- InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
- InChI Key
- NATVSFWWYVJTAZ-UHFFFAOYSA-N
- Formula
- C6H4Cl3N
- SMILES
- Nc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 196.46
- CAS
- 634-93-5
- Other Names
-
- 1-Amino-2,4,6-trichlorobenzene
- 2,4,6-Trichloroaniline
- 2,4,6-Trichlorobenzenamine
- 2,4,6-Trichlorophenylamine
- Aniline, 2,4,6-trichloro-
- s-Trichloroaniline
- sym-Trichloroaniline
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 113.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 85.30 ± 1.90 | kJ/mol | NIST |
| ΔvapH° | 57.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 118.340 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Inp | [1362.00; 1398.00] |
|
|
| Inp | Outlier 1398.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Tboil | 535.20 | K | NIST |
| Tc | 813.61 | K | Joback Calculated Property |
| Tfus | 394.38 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.61; 245.30] | J/mol×K | [563.12; 813.61] |
|
| Cp,gas | 209.61 | J/mol×K | 563.12 | Joback Calculated Property |
| Cp,gas | 216.78 | J/mol×K | 604.87 | Joback Calculated Property |
| Cp,gas | 223.43 | J/mol×K | 646.62 | Joback Calculated Property |
| Cp,gas | 229.59 | J/mol×K | 688.36 | Joback Calculated Property |
| Cp,gas | 235.27 | J/mol×K | 730.11 | Joback Calculated Property |
| Cp,gas | 240.50 | J/mol×K | 771.86 | Joback Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 813.61 | Joback Calculated Property |
| ΔvapH | 92.90 | kJ/mol | 471.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 535.20 | K | 99.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 202.68] | kPa | [407.00; 553.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.55173e+01 | |||
| Coefficient B | -1.11949e+04 | |||
| Coefficient C | 4.70000e-01 | |||
| Temperature range, min. | 407.00 | |||
| Temperature range, max. | 553.58 | |||
| Pvap | 0.14 | kPa | 407.00 | Calculated Property |
| Pvap | 0.41 | kPa | 423.29 | Calculated Property |
| Pvap | 1.08 | kPa | 439.57 | Calculated Property |
| Pvap | 2.68 | kPa | 455.86 | Calculated Property |
| Pvap | 6.23 | kPa | 472.15 | Calculated Property |
| Pvap | 13.73 | kPa | 488.43 | Calculated Property |
| Pvap | 28.72 | kPa | 504.72 | Calculated Property |
| Pvap | 57.37 | kPa | 521.01 | Calculated Property |
| Pvap | 109.91 | kPa | 537.29 | Calculated Property |
| Pvap | 202.68 | kPa | 553.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2,4,6-trichloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.