- InChI
- InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
- InChI Key
- ZHRLVDHMIJDWSS-UHFFFAOYSA-N
- Formula
- C6H4FNO3
- SMILES
- O=[N+]([O-])c1cc(F)ccc1O
- Molecular Weight1
- 157.10
- CAS
- 394-33-2
- Other Names
-
- Phenol, 4-fluoro-2-nitro-
- 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).
- 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 | -2731.10 | kJ/mol | NIST |
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.00 | Crippen Calculated Property | |
| logPoct/wat | 1.439 | Crippen Calculated Property | |
| McVol | 96.700 | ml/mol | McGowan Calculated Property |
| Pc | 5390.71 | kPa | Joback Calculated Property |
| Tboil | 600.07 | K | Joback Calculated Property |
| Tc | 852.64 | K | Joback Calculated Property |
| Tfus | 452.24 | K | Joback Calculated Property |
| Vc | 0.330 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.12; 265.04] | J/mol×K | [600.07; 852.64] | 
|
| Cp,gas | 226.12 | J/mol×K | 600.07 | Joback Calculated Property |
| Cp,gas | 234.01 | J/mol×K | 642.17 | Joback Calculated Property |
| Cp,gas | 241.21 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 247.81 | J/mol×K | 726.36 | Joback Calculated Property |
| Cp,gas | 253.92 | J/mol×K | 768.45 | Joback Calculated Property |
| Cp,gas | 259.63 | J/mol×K | 810.55 | Joback Calculated Property |
| Cp,gas | 265.04 | J/mol×K | 852.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-nitrophenol.
Sources
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