- InChI
- InChI=1S/C13H6ClF2NO4/c14-9-3-1-2-8(12(9)16)13(18)21-11-6-7(15)4-5-10(11)17(19)20/h1-6H
- InChI Key
- HUKPKYZHEGUWMG-UHFFFAOYSA-N
- Formula
- C13H6ClF2NO4
- SMILES
-
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c
1cccc(Cl)c1F - Molecular Weight1
- 313.64
- 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° | -355.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 187.150 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | 2185.00 | NIST | |
| Tboil | 834.22 | K | Joback Calculated Property |
| Tc | 1083.37 | K | Joback Calculated Property |
| Tfus | 586.06 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.83; 526.46] | J/mol×K | [834.22; 1083.37] | 
|
| Cp,gas | 486.83 | J/mol×K | 834.22 | Joback Calculated Property |
| Cp,gas | 495.85 | J/mol×K | 875.75 | Joback Calculated Property |
| Cp,gas | 503.87 | J/mol×K | 917.27 | Joback Calculated Property |
| Cp,gas | 510.91 | J/mol×K | 958.80 | Joback Calculated Property |
| Cp,gas | 517.00 | J/mol×K | 1000.32 | Joback Calculated Property |
| Cp,gas | 522.18 | J/mol×K | 1041.85 | Joback Calculated Property |
| Cp,gas | 526.46 | J/mol×K | 1083.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2-nitro-5-fluorophenyl ester.
Sources
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