- InChI
- InChI=1S/C6H2Cl6N2/c7-1-3(13)2(8)5(9)14-4(1)6(10,11)12/h(H2,13,14)
- InChI Key
- VNJVZJNBTWPKNX-UHFFFAOYSA-N
- Formula
- C6H2Cl6N2
- SMILES
-
Nc1c(Cl)c(Cl)nc(C(Cl)(Cl)Cl)c1
Cl - Molecular Weight1
- 314.81
- CAS
- 5005-62-9
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.5422 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 18.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.451 | Crippen Calculated Property | |
| McVol | 165.040 | ml/mol | McGowan Calculated Property |
| Pc | 2788.58 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 593.26 | K | Relay (1.0) Calculated Property |
| Tc | 896.02 | K | Relay (1.0) Calculated Property |
| Tfus | 399.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3,5,6-trichloro-2-(trichloromethyl)pyridine.
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.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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