- InChI
- InChI=1S/C14H10FNO4/c15-13-7-6-12(16(18)19)8-11(13)9-20-14(17)10-4-2-1-3-5-10/h1-8H,9H2
- InChI Key
- WTPUBICIJXMFPS-UHFFFAOYSA-N
- Formula
- C14H10FNO4
- SMILES
-
O=C(OCc1cc([N+](=O)[O-])ccc1F)
c1ccccc1 - Molecular Weight1
- 275.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -120.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 187.230 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | 2207.00 | NIST | |
| Tboil | 810.44 | K | Joback Calculated Property |
| Tc | 1061.68 | K | Joback Calculated Property |
| Tfus | 541.78 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.51; 568.69] | J/mol×K | [810.44; 1061.68] | 
|
| Cp,gas | 516.51 | J/mol×K | 810.44 | Joback Calculated Property |
| Cp,gas | 527.92 | J/mol×K | 852.31 | Joback Calculated Property |
| Cp,gas | 538.17 | J/mol×K | 894.19 | Joback Calculated Property |
| Cp,gas | 547.32 | J/mol×K | 936.06 | Joback Calculated Property |
| Cp,gas | 555.43 | J/mol×K | 977.94 | Joback Calculated Property |
| Cp,gas | 562.53 | J/mol×K | 1019.81 | Joback Calculated Property |
| Cp,gas | 568.69 | J/mol×K | 1061.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (2-fluoro-5-nitrophenyl)methyl ester.
Sources
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