- InChI
- InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
- InChI Key
- MTBYTWZDRVOMBR-UHFFFAOYSA-N
- Formula
- C6HCl4NO2
- SMILES
-
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)
c1Cl - Molecular Weight1
- 260.89
- CAS
- 879-39-0
- Other Names
-
- 1-Nitro-2,3,4,5-tetrachlorobenzene
- 1,2,3,4-Tetrachloro-5-nitrobenzene
- 2,3,4,5-Tetrachloro-1-nitrobenzene
- 2,3,4,5-Tetrachloronitrobenzene
- Benzene, 5-nitro-1,2,3,4-tetrachloro-
- DB-905
- Folosan DB-905 fumite
- TCBN
- NSC 5577
- NSC 57752
- 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).
- 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).
- 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° | 61.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 138.020 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | 684.84 | K | Joback Calculated Property |
| Tc | 956.14 | K | Joback Calculated Property |
| Tfus | 497.17 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.02; 274.77] | J/mol×K | [684.84; 956.14] | 
|
| Cp,gas | 248.02 | J/mol×K | 684.84 | Joback Calculated Property |
| Cp,gas | 253.77 | J/mol×K | 730.06 | Joback Calculated Property |
| Cp,gas | 258.97 | J/mol×K | 775.27 | Joback Calculated Property |
| Cp,gas | 263.65 | J/mol×K | 820.49 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 865.71 | Joback Calculated Property |
| Cp,gas | 271.52 | J/mol×K | 910.92 | Joback Calculated Property |
| Cp,gas | 274.77 | J/mol×K | 956.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3,4-tetrachloro-5-nitro-.
Sources
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