- InChI
- InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
- InChI Key
- AEBJDOTVYMITIA-UHFFFAOYSA-N
- Formula
- C6H2Cl3NO2
- SMILES
- O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 226.44
- CAS
- 18708-70-8
- Other Names
-
- 1,3,5-Trichloro-2-nitrobenzene
- 2,4,6-Trichloro-1-nitrobenzene
- 2,4,6-Trichloronitrobenzene
- 1-Nitro-2,4,6-trichlorobenzene
- 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).
- 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).
- 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° | 82.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -23.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.12 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [84.30; 86.70] | kJ/mol |
|
| ΔsubH° | 84.30 ± 1.90 | kJ/mol | NIST |
| ΔsubH° | 86.70 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 62.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.18 | Crippen Calculated Property | |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 125.780 | ml/mol | McGowan Calculated Property |
| Pc | 3872.29 | kPa | Joback Calculated Property |
| Tboil | 642.43 | K | Joback Calculated Property |
| Tc | 910.67 | K | Joback Calculated Property |
| Tfus | 454.73 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.74; 265.63] | J/mol×K | [642.43; 910.67] |
|
| Cp,gas | 233.74 | J/mol×K | 642.43 | Joback Calculated Property |
| Cp,gas | 240.49 | J/mol×K | 687.14 | Joback Calculated Property |
| Cp,gas | 246.61 | J/mol×K | 731.84 | Joback Calculated Property |
| Cp,gas | 252.16 | J/mol×K | 776.55 | Joback Calculated Property |
| Cp,gas | 257.16 | J/mol×K | 821.25 | Joback Calculated Property |
| Cp,gas | 261.64 | J/mol×K | 865.96 | Joback Calculated Property |
| Cp,gas | 265.63 | J/mol×K | 910.67 | Joback Calculated Property |
| ΔsubH | 86.90 ± 1.10 | kJ/mol | 295.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-trichloro-2-nitro-.
Sources
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