- 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
- 295.33
- CAS
- 82-68-8
- 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
- Pentachloronitrobenzene
- Pentachloronitrobenzol
- Pentagen
- Phomasan
- Quinosan
- Quintocene
- Quintozen
- Quintozene
- RTU 1010
- Saniclor 30
- Terrachlor
- Terraclor
- Terraclor 30 G
- Terrafun
- Terrazan
- Tilcarex
- Tritisan
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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.
- I : 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° | 39.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.45 | kJ/mol | Joback Calculated Property |
| 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 |
| ΔvapH° | 73.05 | kJ/mol | Joback Calculated Property |
| log10WS | [-5.82; -5.82] |
|
|
| log10WS | -5.82 | Aq. Sol... | |
| log10WS | -5.82 | Estimat... | |
| logPoct/wat | 4.862 | Crippen Calculated Property | |
| McVol | 150.260 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback 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 | 727.25 | K | Joback Calculated Property |
| Tc | 1001.02 | K | Joback Calculated Property |
| Tfus | [415.90; 418.00] | K |
|
| Tfus | 415.90 | K | Aq. Sol... |
| Tfus | 417.58 ± 0.20 | K | NIST |
| Tfus | 418.00 ± 0.20 | K | NIST |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.84; 282.78] | J/mol×K | [727.25; 1001.02] |
|
| Cp,gas | 260.84 | J/mol×K | 727.25 | Joback Calculated Property |
| Cp,gas | 265.69 | J/mol×K | 772.88 | Joback Calculated Property |
| Cp,gas | 270.04 | J/mol×K | 818.51 | Joback Calculated Property |
| Cp,gas | 273.90 | J/mol×K | 864.14 | Joback Calculated Property |
| Cp,gas | 277.31 | J/mol×K | 909.77 | Joback Calculated Property |
| Cp,gas | 280.26 | J/mol×K | 955.40 | Joback Calculated Property |
| Cp,gas | 282.78 | J/mol×K | 1001.02 | Joback Calculated Property |
| ΔfusH | 18.41 | kJ/mol | 418.00 | NIST |
| ΔsubH | 93.00 ± 0.40 | kJ/mol | 328.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, pentachloronitro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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