- InChI
- InChI=1S/C13H7F2NO4/c14-8-1-6-11(12(15)7-8)13(17)20-10-4-2-9(3-5-10)16(18)19/h1-7H
- InChI Key
- TWUFFCGNKVCYCF-UHFFFAOYSA-N
- Formula
- C13H7F2NO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)c1
ccc(F)cc1F - Molecular Weight1
- 279.20
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.7311 | Relay (... Calculated Property | |
| ΔfG° | -333.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 3.092 | Crippen Calculated Property | |
| McVol | 174.910 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 604.68 | K | Relay (... Calculated Property |
| Tc | 892.75 | K | Relay (... Calculated Property |
| Tfus | 372.28 | K | Relay (... Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.72; 516.82] | J/mol×K | [791.81; 1038.35] | 
|
| Cp,gas | 469.72 | J/mol×K | 791.81 | Joback Calculated Property |
| Cp,gas | 480.06 | J/mol×K | 832.90 | Joback Calculated Property |
| Cp,gas | 489.35 | J/mol×K | 873.99 | Joback Calculated Property |
| Cp,gas | 497.64 | J/mol×K | 915.08 | Joback Calculated Property |
| Cp,gas | 504.96 | J/mol×K | 956.17 | Joback Calculated Property |
| Cp,gas | 511.34 | J/mol×K | 997.26 | Joback Calculated Property |
| Cp,gas | 516.82 | J/mol×K | 1038.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 4-nitrophenyl ester.
Sources
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