- InChI
- InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
- InChI Key
- ROJNMGYMBLNTPK-UHFFFAOYSA-N
- Formula
- C6H2F3NO2
- SMILES
- O=[N+]([O-])c1cc(F)c(F)cc1F
- Molecular Weight1
- 177.08
- CAS
- 2105-61-5
- Other Names
-
- 1,2,4-Trifluoro-5-nitrobenzene
- 2,4,5-Trifluoronitrobenzene
- 2,4,5-Trifluoro-1-nitrobenzene
- 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° | -465.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 94.370 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 467.70 | K | NIST |
| Tc | 747.12 | K | Joback Calculated Property |
| Tfus | 366.74 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.84; 241.83] | J/mol×K | [527.95; 747.12] | 
|
| Cp,gas | 202.84 | J/mol×K | 527.95 | Joback Calculated Property |
| Cp,gas | 210.49 | J/mol×K | 564.48 | Joback Calculated Property |
| Cp,gas | 217.66 | J/mol×K | 601.01 | Joback Calculated Property |
| Cp,gas | 224.36 | J/mol×K | 637.53 | Joback Calculated Property |
| Cp,gas | 230.62 | J/mol×K | 674.06 | Joback Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 710.59 | Joback Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 747.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4-trifluoro-5-nitro-.
Sources
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