- InChI
- InChI=1S/C8H6Cl3NO2/c9-8(10,11)5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2
- InChI Key
- GRXKQNJAZNVHAH-UHFFFAOYSA-N
- Formula
- C8H6Cl3NO2
- SMILES
-
O=[N+]([O-])c1ccc(CC(Cl)(Cl)Cl
)cc1 - Molecular Weight1
- 254.50
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5162 | Relay (... Calculated Property | |
| ΔfG° | 121.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.28 | kJ/mol | Relay (... Calculated Property |
| IE | 10.09 | eV | Relay (... Calculated Property |
| log10WS | -4.84 | Relay (... Calculated Property | |
| logPoct/wat | 3.508 | Crippen Calculated Property | |
| McVol | 153.960 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Inp | 1758.00 | NIST | |
| Tboil | 571.51 | K | Relay (... Calculated Property |
| Tc | 825.68 | K | Relay (... Calculated Property |
| Tfus | 375.39 | K | Relay (... Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.13; 376.86] | J/mol×K | [675.00; 945.09] | 
|
| Cp,gas | 333.13 | J/mol×K | 675.00 | Joback Calculated Property |
| Cp,gas | 342.56 | J/mol×K | 720.02 | Joback Calculated Property |
| Cp,gas | 350.98 | J/mol×K | 765.03 | Joback Calculated Property |
| Cp,gas | 358.51 | J/mol×K | 810.05 | Joback Calculated Property |
| Cp,gas | 365.26 | J/mol×K | 855.06 | Joback Calculated Property |
| Cp,gas | 371.34 | J/mol×K | 900.08 | Joback Calculated Property |
| Cp,gas | 376.86 | J/mol×K | 945.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-nitro-4-(2,2,2-trichloroethyl).
Sources
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