- InChI
- InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
- InChI Key
- LKPLKUMXSAEKID-UHFFFAOYSA-N
- Formula
- C6Cl5NO2
- SMILES
-
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c
(Cl)c1Cl - Molecular Weight1
- 295.34
- Other Names
-
- Avicol
- Avicol, pesticide
- Batrilex
- Benzene, 1,2,3,4,5-pentachloro-6-nitro-
- Botrilex
- Brassicol
- Brassicol 75
- Brassicol Super
- Chinozan
- Earthcide
- Fartox
- Folosan
- Fomac 2
- Fungiclor
- GC 3944-3-4
- KOBU
- KP 2
- Kobutol
- Liro-PCNB
- Marisan forte
- NCI-C00419
- Nitropentachlorobenzene
- Olpisan
- PCNB
- PKHNB
- Pentachlornitrobenzol
- Pentachloronitrobenzol
- Pentagen
- Phomasan
- Quinosan
- Quintocene
- Quintozen
- Quintozene
- RTU 1010
- Saniclor 30
- Terrachlor
- Terraclor
- Terraclor 30 G
- Terrafun
- Terrazan
- Tilcarex
- Tritisan
- pentachloronitrobenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 35.74 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [94.50; 96.30] | kJ/mol |
|
| ΔsubH° | 96.30 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 94.50 ± 0.40 | kJ/mol | NIST |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.82; -5.82] |
|
|
| log10WS | -5.82 | Aq. Solubility Prediction | |
| log10WS | -5.82 | Estimated Solubility | |
| logPoct/wat | 4.862 | Crippen Calculated Property | |
| McVol | 150.260 | ml/mol | McGowan Calculated Property |
| Inp | [297.93; 1798.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1798.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 297.93 | NIST | |
| Inp | 298.71 | NIST | |
| I | 2355.00 | NIST | |
| Tboil | 591.54 | K | Relay (1.0) Calculated Property |
| Tfus | [415.90; 418.00] | K |
|
| Tfus | 415.90 | K | Aq. Solubility Prediction |
| Tfus | 417.58 ± 0.20 | K | NIST |
| Tfus | 418.00 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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,gas | [260.87; 282.80] | J/mol×K | [727.45; 1001.30] |
|
| Cp,gas | 260.87 | J/mol×K | 727.45 | Joback Calculated Property |
| Cp,gas | 265.71 | J/mol×K | 773.09 | Joback Calculated Property |
| Cp,gas | 270.06 | J/mol×K | 818.73 | Joback Calculated Property |
| Cp,gas | 273.92 | J/mol×K | 864.37 | Joback Calculated Property |
| Cp,gas | 277.33 | J/mol×K | 910.02 | Joback Calculated Property |
| Cp,gas | 280.28 | J/mol×K | 955.66 | Joback Calculated Property |
| Cp,gas | 282.80 | J/mol×K | 1001.30 | Joback Calculated Property |
| ΔfusH | 18.41 | kJ/mol | 418.00 | NIST |
| ΔsubH | 93.00 ± 0.40 | kJ/mol | 328.00 | NIST |
| ΔvapH | 96.30 | kJ/mol | 298.15 | Experimental and computational thermochemical study of the tri-, tetra-, and pentachloronitrobenzene isomers |
Similar Compounds
Find more compounds similar to Benzene, pentachloronitro-.
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
- Experimental and computational thermochemical study of the tri-, tetra-, and pentachloronitrobenzene isomers
- Joback 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.
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