- InChI
- InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
- InChI Key
- HFHAVERNVFNSHL-UHFFFAOYSA-N
- Formula
- C7H2ClF3N2O4
- SMILES
-
O=[N+]([O-])c1cc(C(F)(F)F)cc([
N+](=O)[O-])c1Cl - Molecular Weight1
- 270.55
- CAS
- 393-75-9
- Other Names
-
- Benzene, 2-chloro-5-(trifluoromethyl)-1,3-dinitro-
- Trifluoromethyl-3,5-dinitro-4-chlorobenzene
- 3,5-Dinitro-4-chlorobenzotrifluoride
- 4-Chloro-3,5-dinitrobenzotrifluoride
- Toluene, 4-chloro-«alpha»,«alpha»,«alpha»-trifluoro-3,5-dinitro-
- 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
- 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
- 2,6-Dinitro-4-trifluoromethylchlorobenzene
- 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
- 4-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-3,5-dinitrotoluene
- 4-Chloro-3,5-dinitro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- Toluene, 4-chloro-3,5-dinitro-«alpha»,«alpha»,«alpha»-trifluoro-
- Benzotrifluoride, 4-chloro-3,5-dinitro-
- 3,5-Dinitro-4-chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- Benzene, 1-chloro-2,6-dinitro-4-trifluoromethyl
- NSC 88274
- Chloralin
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -3087.00 ± 10.00 | kJ/mol | NIST |
| ΔfG° | -430.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.03 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -260.00 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 35.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 3.175 | Crippen Calculated Property | |
| McVol | 138.120 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Tboil | 736.87 | K | Joback Calculated Property |
| Tc | 991.26 | K | Joback Calculated Property |
| Tfus | 553.96 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.87; 375.45] | J/mol×K | [736.87; 991.26] | 
|
| Cp,gas | 342.87 | J/mol×K | 736.87 | Joback Calculated Property |
| Cp,gas | 349.95 | J/mol×K | 779.27 | Joback Calculated Property |
| Cp,gas | 356.27 | J/mol×K | 821.67 | Joback Calculated Property |
| Cp,gas | 361.91 | J/mol×K | 864.07 | Joback Calculated Property |
| Cp,gas | 366.94 | J/mol×K | 906.46 | Joback Calculated Property |
| Cp,gas | 371.43 | J/mol×K | 948.86 | Joback Calculated Property |
| Cp,gas | 375.45 | J/mol×K | 991.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-.
Sources
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