- InChI
- InChI=1S/C13H8ClFO2/c14-11-8-4-7-10(12(11)15)13(16)17-9-5-2-1-3-6-9/h1-8H
- InChI Key
- JNBLJOFPYZIRPK-UHFFFAOYSA-N
- Formula
- C13H8ClFO2
- SMILES
- O=C(Oc1ccccc1)c1cccc(Cl)c1F
- Molecular Weight1
- 250.65
- 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° | -176.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 167.960 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1890.00 | NIST | |
| Tboil | 673.15 | K | Joback Calculated Property |
| Tc | 913.93 | K | Joback Calculated Property |
| Tfus | 416.82 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.42; 456.07] | J/mol×K | [673.15; 913.93] | 
|
| Cp,gas | 396.42 | J/mol×K | 673.15 | Joback Calculated Property |
| Cp,gas | 408.77 | J/mol×K | 713.28 | Joback Calculated Property |
| Cp,gas | 420.11 | J/mol×K | 753.41 | Joback Calculated Property |
| Cp,gas | 430.47 | J/mol×K | 793.54 | Joback Calculated Property |
| Cp,gas | 439.89 | J/mol×K | 833.67 | Joback Calculated Property |
| Cp,gas | 448.41 | J/mol×K | 873.80 | Joback Calculated Property |
| Cp,gas | 456.07 | J/mol×K | 913.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, phenylester.
Sources
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