- InChI
- InChI=1S/C13H8FNO4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H
- InChI Key
- VRJUGVIHMRSPPB-UHFFFAOYSA-N
- Formula
- C13H8FNO4
- SMILES
-
O=C(Oc1ccc([N+](=O)[O-])cc1)c1
ccccc1F - Molecular Weight1
- 261.21
- 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 | 0.7052 | Relay (... Calculated Property | |
| ΔfG° | -129.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.05 | kJ/mol | Relay (... Calculated Property |
| IE | 9.21 | eV | Relay (... Calculated Property |
| log10WS | -4.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.953 | Crippen Calculated Property | |
| McVol | 173.140 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [2073.00; 2073.00] |
|
|
| Inp | 2073.00 | NIST | |
| Inp | 2073.00 | NIST | |
| Tboil | 604.11 | K | Relay (... Calculated Property |
| Tc | 905.19 | K | Relay (... Calculated Property |
| Tfus | 368.15 | K | Relay (... Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.79; 513.70] | J/mol×K | [787.56; 1044.15] |
|
| Cp,gas | 463.79 | J/mol×K | 787.56 | Joback Calculated Property |
| Cp,gas | 474.79 | J/mol×K | 830.33 | Joback Calculated Property |
| Cp,gas | 484.66 | J/mol×K | 873.09 | Joback Calculated Property |
| Cp,gas | 493.43 | J/mol×K | 915.86 | Joback Calculated Property |
| Cp,gas | 501.16 | J/mol×K | 958.62 | Joback Calculated Property |
| Cp,gas | 507.90 | J/mol×K | 1001.39 | Joback Calculated Property |
| Cp,gas | 513.70 | J/mol×K | 1044.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 4-nitrophenyl ester.
Sources
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