- InChI
- InChI=1S/C13H6F3NO4/c14-7-1-3-9(10(16)5-7)13(18)21-12-6-8(15)2-4-11(12)17(19)20/h1-6H
- InChI Key
- NACJRYOZWYXNCH-UHFFFAOYSA-N
- Formula
- C13H6F3NO4
- SMILES
-
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c
1ccc(F)cc1F - Molecular Weight1
- 297.19
- 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° | -537.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 3.231 | Crippen Calculated Property | |
| McVol | 176.680 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1935.00 | NIST | |
| Tboil | 796.06 | K | Joback Calculated Property |
| Tc | 1033.47 | K | Joback Calculated Property |
| Tfus | 556.73 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.61; 520.09] | J/mol×K | [796.06; 1033.47] | 
|
| Cp,gas | 475.61 | J/mol×K | 796.06 | Joback Calculated Property |
| Cp,gas | 485.34 | J/mol×K | 835.63 | Joback Calculated Property |
| Cp,gas | 494.10 | J/mol×K | 875.20 | Joback Calculated Property |
| Cp,gas | 501.94 | J/mol×K | 914.76 | Joback Calculated Property |
| Cp,gas | 508.86 | J/mol×K | 954.33 | Joback Calculated Property |
| Cp,gas | 514.91 | J/mol×K | 993.90 | Joback Calculated Property |
| Cp,gas | 520.09 | J/mol×K | 1033.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 2-nitro-5-fluorophenyl ester.
Sources
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