- InChI
- InChI=1S/C13H7Cl2FO2/c14-8-4-6-9(7-5-8)18-13(17)10-2-1-3-11(15)12(10)16/h1-7H
- InChI Key
- DYUOKCUAXQWYFV-UHFFFAOYSA-N
- Formula
- C13H7Cl2FO2
- SMILES
-
O=C(Oc1ccc(Cl)cc1)c1cccc(Cl)c1
F - Molecular Weight1
- 285.10
- 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° | -198.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.352 | Crippen Calculated Property | |
| McVol | 180.200 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | 2092.00 | NIST | |
| Tboil | 715.56 | K | Joback Calculated Property |
| Tc | 959.61 | K | Joback Calculated Property |
| Tfus | 459.26 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.98; 469.29] | J/mol×K | [715.56; 959.61] | 
|
| Cp,gas | 416.98 | J/mol×K | 715.56 | Joback Calculated Property |
| Cp,gas | 428.00 | J/mol×K | 756.24 | Joback Calculated Property |
| Cp,gas | 438.06 | J/mol×K | 796.91 | Joback Calculated Property |
| Cp,gas | 447.19 | J/mol×K | 837.59 | Joback Calculated Property |
| Cp,gas | 455.42 | J/mol×K | 878.26 | Joback Calculated Property |
| Cp,gas | 462.77 | J/mol×K | 918.94 | Joback Calculated Property |
| Cp,gas | 469.29 | J/mol×K | 959.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 4-chlorophenyl ester.
Sources
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