- InChI
- InChI=1S/C11H5ClF8O2/c12-6-3-1-2-5(7(6)13)8(21)22-4-9(14,15)10(16,17)11(18,19)20/h1-3H,4H2
- InChI Key
- WCFCNXHSTQWYIC-UHFFFAOYSA-N
- Formula
- C11H5ClF8O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c
1cccc(Cl)c1F - Molecular Weight1
- 356.60
- 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° | -1660.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1912.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.469 | Crippen Calculated Property | |
| McVol | 175.930 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 1285.00 | NIST | |
| Tboil | 585.91 | K | Joback Calculated Property |
| Tc | 763.33 | K | Joback Calculated Property |
| Tfus | 379.25 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.34; 499.85] | J/mol×K | [585.91; 763.33] | 
|
| Cp,gas | 448.34 | J/mol×K | 585.91 | Joback Calculated Property |
| Cp,gas | 458.75 | J/mol×K | 615.48 | Joback Calculated Property |
| Cp,gas | 468.37 | J/mol×K | 645.05 | Joback Calculated Property |
| Cp,gas | 477.24 | J/mol×K | 674.62 | Joback Calculated Property |
| Cp,gas | 485.41 | J/mol×K | 704.19 | Joback Calculated Property |
| Cp,gas | 492.93 | J/mol×K | 733.76 | Joback Calculated Property |
| Cp,gas | 499.85 | J/mol×K | 763.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester.
Sources
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