- InChI
- InChI=1S/C13H5Cl4FO2/c14-7-3-1-2-6(12(7)18)13(19)20-11-5-9(16)8(15)4-10(11)17/h1-5H
- InChI Key
- FWGMRMAWPZDVFI-UHFFFAOYSA-N
- Formula
- C13H5Cl4FO2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1cccc
(Cl)c1F - Molecular Weight1
- 353.99
- 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° | -241.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.63 | Crippen Calculated Property | |
| logPoct/wat | 5.659 | Crippen Calculated Property | |
| McVol | 204.680 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Inp | 2411.00 | NIST | |
| Tboil | 800.38 | K | Joback Calculated Property |
| Tc | 1049.98 | K | Joback Calculated Property |
| Tfus | 544.14 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.35; 490.68] | J/mol×K | [800.38; 1049.98] | 
|
| Cp,gas | 452.35 | J/mol×K | 800.38 | Joback Calculated Property |
| Cp,gas | 460.90 | J/mol×K | 841.98 | Joback Calculated Property |
| Cp,gas | 468.57 | J/mol×K | 883.58 | Joback Calculated Property |
| Cp,gas | 475.35 | J/mol×K | 925.18 | Joback Calculated Property |
| Cp,gas | 481.29 | J/mol×K | 966.78 | Joback Calculated Property |
| Cp,gas | 486.39 | J/mol×K | 1008.38 | Joback Calculated Property |
| Cp,gas | 490.68 | J/mol×K | 1049.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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