- InChI
- InChI=1S/C14H8Cl2F2O2/c1-7-2-5-11(17)12(13(7)18)14(19)20-8-3-4-9(15)10(16)6-8/h2-6H,1H3
- InChI Key
- KVIJWMIURLLPQR-UHFFFAOYSA-N
- Formula
- C14H8Cl2F2O2
- SMILES
-
Cc1ccc(F)c(C(=O)Oc2ccc(Cl)c(Cl
)c2)c1F - Molecular Weight1
- 317.12
- 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° | -403.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.91 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 4.799 | Crippen Calculated Property | |
| McVol | 196.060 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | 2167.00 | NIST | |
| Tboil | 747.67 | K | Joback Calculated Property |
| Tc | 978.33 | K | Joback Calculated Property |
| Tfus | 496.16 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.31; 524.21] | J/mol×K | [747.67; 978.33] | 
|
| Cp,gas | 472.31 | J/mol×K | 747.67 | Joback Calculated Property |
| Cp,gas | 483.11 | J/mol×K | 786.11 | Joback Calculated Property |
| Cp,gas | 493.02 | J/mol×K | 824.56 | Joback Calculated Property |
| Cp,gas | 502.07 | J/mol×K | 863.00 | Joback Calculated Property |
| Cp,gas | 510.27 | J/mol×K | 901.45 | Joback Calculated Property |
| Cp,gas | 517.65 | J/mol×K | 939.89 | Joback Calculated Property |
| Cp,gas | 524.21 | J/mol×K | 978.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester.
Sources
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