- InChI
- InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
- InChI Key
- WVZBIQSKLXJFNX-UHFFFAOYSA-N
- Formula
- C7H4FNO4
- SMILES
-
O=C(O)c1ccc([N+](=O)[O-])c(F)c
1 - Molecular Weight1
- 185.11
- CAS
- 403-21-4
- 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° | -323.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 112.360 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 693.36 | K | Joback Calculated Property |
| Tc | 918.05 | K | Joback Calculated Property |
| Tfus | 475.06 | K | Joback Calculated Property |
| Vc | 0.445 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.47; 308.61] | J/mol×K | [693.36; 918.05] | 
|
| Cp,gas | 274.47 | J/mol×K | 693.36 | Joback Calculated Property |
| Cp,gas | 281.48 | J/mol×K | 730.81 | Joback Calculated Property |
| Cp,gas | 287.92 | J/mol×K | 768.26 | Joback Calculated Property |
| Cp,gas | 293.84 | J/mol×K | 805.71 | Joback Calculated Property |
| Cp,gas | 299.24 | J/mol×K | 843.15 | Joback Calculated Property |
| Cp,gas | 304.16 | J/mol×K | 880.60 | Joback Calculated Property |
| Cp,gas | 308.61 | J/mol×K | 918.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-fluoro-4-nitro-.
Sources
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