- InChI
- InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
- InChI Key
- KHCZSJXTDDHLGJ-UHFFFAOYSA-N
- Formula
- C6H2Cl5N
- SMILES
- Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 265.35
- CAS
- 527-20-8
- Other Names
-
- Benzenamine, 2,3,4,5,6-pentachloro-
- Aniline, 2,3,4,5,6-pentachloro-
- Pentachloroaminobenzene
- Pentachloroaniline
- PCA
- 2,3,4,5,6-Pentachlorobenzenamine
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- 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° | 70.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 4.536 | Crippen Calculated Property | |
| McVol | 142.820 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Inp | [1782.00; 1782.00] |
|
|
| Inp | 1782.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 647.94 | K | Joback Calculated Property |
| Tc | 906.88 | K | Joback Calculated Property |
| Tfus | 507.06 ± 0.20 | K | NIST |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.23; 266.36] | J/mol×K | [647.94; 906.88] |
|
| Cp,gas | 240.23 | J/mol×K | 647.94 | Joback Calculated Property |
| Cp,gas | 245.57 | J/mol×K | 691.10 | Joback Calculated Property |
| Cp,gas | 250.50 | J/mol×K | 734.25 | Joback Calculated Property |
| Cp,gas | 255.04 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 259.19 | J/mol×K | 820.57 | Joback Calculated Property |
| Cp,gas | 262.96 | J/mol×K | 863.72 | Joback Calculated Property |
| Cp,gas | 266.36 | J/mol×K | 906.88 | Joback Calculated Property |
| ΔfusH | [18.70; 18.70] | kJ/mol | [505.80; 505.80] |
|
| ΔfusH | 18.70 | kJ/mol | 505.80 | NIST |
| ΔfusH | 18.70 | kJ/mol | 505.80 | NIST |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentachloroaniline.
Sources
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