- InChI
- InChI=1S/C14H9F2NO4/c1-8-2-7-11(15)12(13(8)16)14(18)21-10-5-3-9(4-6-10)17(19)20/h2-7H,1H3
- InChI Key
- LLQAGHNZYQXOCB-UHFFFAOYSA-N
- Formula
- C14H9F2NO4
- SMILES
-
Cc1ccc(F)c(C(=O)Oc2ccc([N+](=O
)[O-])cc2)c1F - Molecular Weight1
- 293.22
- 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° | -334.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 189.000 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Inp | 2227.00 | NIST | |
| Tboil | 819.67 | K | Joback Calculated Property |
| Tc | 1062.35 | K | Joback Calculated Property |
| Tfus | 567.41 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.68; 569.43] | J/mol×K | [819.67; 1062.35] | 
|
| Cp,gas | 520.68 | J/mol×K | 819.67 | Joback Calculated Property |
| Cp,gas | 531.35 | J/mol×K | 860.12 | Joback Calculated Property |
| Cp,gas | 540.96 | J/mol×K | 900.56 | Joback Calculated Property |
| Cp,gas | 549.54 | J/mol×K | 941.01 | Joback Calculated Property |
| Cp,gas | 557.13 | J/mol×K | 981.45 | Joback Calculated Property |
| Cp,gas | 563.75 | J/mol×K | 1021.90 | Joback Calculated Property |
| Cp,gas | 569.43 | J/mol×K | 1062.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester.
Sources
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