- 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
- CAS
- 1929-82-4
- Other Names
-
- 2-Chloro-6-(trichloromethyl)pyridine
- 2-Picoline, «alpha»,«alpha»,«alpha»,6-tetrachloro-
- 2-Picoline, «alpha»,«alpha»,«alpha»,6-tetrachloro-
- Dowco-163
- N-Serve
- N-Serve nitrogen stabilizer
- Pyridine, 2-chloro-6-(trichloromethyl)-
- ω : Acentric Factor.
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- 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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3328 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2711.00 ± 20.00 | kJ/mol | NIST |
| ΔcH°solid | -2830.80 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 116.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 25.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | 498.30 | kJ/mol | NIST |
| ΔfH°solid | -55.40 ± 1.80 | kJ/mol | NIST |
| ΔvapH° | 58.70 | kJ/mol | NIST |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| 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 |
| Pc | 3547.52 | kPa | Relay (1.0-beta) Calculated Property |
| S°solid,1 bar | 244.60 | J/mol×K | NIST |
| Tboil | 522.03 | K | Relay (1.0) Calculated Property |
| Tc | 760.24 | K | Relay (1.0) Calculated Property |
| Tfus | 339.03 ± 0.20 | K | NIST |
| Ttriple | 337.24 ± 0.01 | K | NIST |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
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 |
| 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 |
Similar Compounds
Find more compounds similar to Nitrapyrin.
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.