- InChI
- InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
- InChI Key
- JHFOWEGCZWLHNW-UHFFFAOYSA-N
- Formula
- C7H6FNO2
- SMILES
- Cc1cc(F)ccc1[N+](=O)[O-]
- Molecular Weight1
- 155.13
- CAS
- 446-33-3
- Other Names
-
- Toluene, 5-fluoro-2-nitro-
- 2-Methyl-4-fluoronitrobenzene
- 3-Fluoro-6-nitrotoluene
- 3-Methyl-4-nitrofluorobenzene
- 5-Fluoro-2-nitrotoluene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| EA | 1.01 ± 0.05 | eV | NIST |
| ΔfG° | -58.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.042 | Crippen Calculated Property | |
| McVol | 104.920 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 547.31 | K | Joback Calculated Property |
| Tc | 785.21 | K | Joback Calculated Property |
| Tfus | 364.31 | K | Joback Calculated Property |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.86; 280.17] | J/mol×K | [547.31; 785.21] | 
|
| Cp,gas | 228.86 | J/mol×K | 547.31 | Joback Calculated Property |
| Cp,gas | 239.05 | J/mol×K | 586.96 | Joback Calculated Property |
| Cp,gas | 248.55 | J/mol×K | 626.61 | Joback Calculated Property |
| Cp,gas | 257.38 | J/mol×K | 666.26 | Joback Calculated Property |
| Cp,gas | 265.58 | J/mol×K | 705.91 | Joback Calculated Property |
| Cp,gas | 273.16 | J/mol×K | 745.56 | Joback Calculated Property |
| Cp,gas | 280.17 | J/mol×K | 785.21 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 4-fluoro-2-methyl-1-nitro-.
Sources
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