- InChI
- InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
- InChI Key
- DCUJJWWUNKIJPH-UHFFFAOYSA-N
- Formula
- C6H3Cl4N
- SMILES
- Clc1cccc(C(Cl)(Cl)Cl)n1
- Molecular Weight1
- 230.91
- Other Names
-
- 2-Chloro-6-(trichloromethyl)pyridine
- 2-Picoline, «alpha»,«alpha»,«alpha»,6-tetrachloro-
- Dowco-163
- N-Serve
- N-Serve nitrogen stabilizer
- Nitrapyrin
- Pyridine, 2-chloro-6-(trichloromethyl)-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2711.00 ± 20.00 | kJ/mol | NIST |
| ΔcH°solid | -2830.80 ± 1.60 | kJ/mol | NIST |
| ΔfH°liquid | 498.30 | kJ/mol | NIST |
| ΔfH°solid | -55.40 ± 1.80 | kJ/mol | NIST |
| ΔvapH° | 58.70 | kJ/mol | NIST |
| log10WS | [-3.76; -3.76] |
|
|
| log10WS | -3.76 | Aq. Solubility Prediction | |
| log10WS | -3.76 | Estimated Solubility | |
| logPoct/wat | 3.562 | Crippen Calculated Property | |
| McVol | 130.580 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 244.60 | J/mol×K | NIST |
| Tboil | 522.03 | K | Relay (1.0) Calculated Property |
| Tfus | 339.03 ± 0.20 | K | NIST |
| Ttriple | [337.24; 337.24] | K |
|
| Ttriple | 337.24 ± 0.01 | K | NIST |
| Ttriple | 337.24 ± 0.01 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 |
|---|---|---|---|---|
| Cp,solid | [189.35; 192.09] | J/mol×K | [297.13; 298.15] |
|
| Cp,solid | 192.09 | J/mol×K | 297.13 | NIST |
| Cp,solid | 189.35 | J/mol×K | 298.15 | NIST |
| ΔfusH | [20.30; 20.30] | kJ/mol | [164.50; 337.24] |
|
| ΔfusH | 20.30 | kJ/mol | 164.50 | NIST |
| ΔfusH | 20.30 | kJ/mol | 337.20 | NIST |
| ΔfusH | 20.30 | kJ/mol | 337.24 | NIST |
| ΔfusH | 20.30 | kJ/mol | 337.24 | NIST |
| ΔfusH | 20.30 | kJ/mol | 337.24 | NIST |
| ΔfusS | [60.19; 60.19] | J/mol×K | [337.24; 337.24] |
|
| ΔfusS | 60.19 | J/mol×K | 337.24 | NIST |
| ΔfusS | 60.19 | J/mol×K | 337.24 | NIST |
| ΔfusS | 60.19 | J/mol×K | 337.24 | NIST |
Similar Compounds
Find more compounds similar to 2-Chloro-6-trichloromethylpyridine.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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. Take the time to validate and double check the source of the data.