- InChI
- InChI=1S/C15H11ClF2O2/c1-8-3-5-11(17)13(14(8)18)15(19)20-12-6-4-10(16)7-9(12)2/h3-7H,1-2H3
- InChI Key
- MOBJPHUSMMTUBV-UHFFFAOYSA-N
- Formula
- C15H11ClF2O2
- SMILES
-
Cc1cc(Cl)ccc1OC(=O)c1c(F)ccc(C
)c1F - Molecular Weight1
- 296.70
- 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° | -383.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 4.454 | Crippen Calculated Property | |
| McVol | 197.910 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | 2066.00 | NIST | |
| Tboil | 733.12 | K | Joback Calculated Property |
| Tc | 957.24 | K | Joback Calculated Property |
| Tfus | 477.51 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.74; 562.75] | J/mol×K | [733.12; 957.24] | 
|
| Cp,gas | 501.74 | J/mol×K | 733.12 | Joback Calculated Property |
| Cp,gas | 514.14 | J/mol×K | 770.47 | Joback Calculated Property |
| Cp,gas | 525.62 | J/mol×K | 807.83 | Joback Calculated Property |
| Cp,gas | 536.21 | J/mol×K | 845.18 | Joback Calculated Property |
| Cp,gas | 545.91 | J/mol×K | 882.54 | Joback Calculated Property |
| Cp,gas | 554.75 | J/mol×K | 919.89 | Joback Calculated Property |
| Cp,gas | 562.75 | J/mol×K | 957.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 4-chloro-2-methylphenyl ester.
Sources
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