- InChI
- InChI=1S/C19H12ClFO2/c20-17-8-4-7-16(18(17)21)19(22)23-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H
- InChI Key
- PGZLCISTDBEQPY-UHFFFAOYSA-N
- Formula
- C19H12ClFO2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
c(Cl)c1F - Molecular Weight1
- 326.75
- 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° | -23.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.43 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 228.740 | ml/mol | McGowan Calculated Property |
| Pc | 2204.15 | kPa | Joback Calculated Property |
| Inp | 2752.00 | NIST | |
| Tboil | 842.09 | K | Joback Calculated Property |
| Tc | 1097.09 | K | Joback Calculated Property |
| Tfus | 523.38 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.09; 674.85] | J/mol×K | [842.09; 1097.09] | 
|
| Cp,gas | 617.09 | J/mol×K | 842.09 | Joback Calculated Property |
| Cp,gas | 629.76 | J/mol×K | 884.59 | Joback Calculated Property |
| Cp,gas | 641.10 | J/mol×K | 927.09 | Joback Calculated Property |
| Cp,gas | 651.21 | J/mol×K | 969.59 | Joback Calculated Property |
| Cp,gas | 660.15 | J/mol×K | 1012.09 | Joback Calculated Property |
| Cp,gas | 668.00 | J/mol×K | 1054.59 | Joback Calculated Property |
| Cp,gas | 674.85 | J/mol×K | 1097.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-biphenyl ester.
Sources
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