- InChI
- InChI=1S/C17H8Cl3FO2/c18-12-7-3-6-11(15(12)21)17(22)23-16-10-5-2-1-4-9(10)13(19)8-14(16)20/h1-8H
- InChI Key
- APQRHWOUYQVKNL-UHFFFAOYSA-N
- Formula
- C17H8Cl3FO2
- SMILES
-
O=C(Oc1c(Cl)cc(Cl)c2ccccc12)c1
cccc(Cl)c1F - Molecular Weight1
- 369.60
- 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° | -88.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.43 | kJ/mol | Joback Calculated Property |
| log10WS | -7.75 | Crippen Calculated Property | |
| logPoct/wat | 6.158 | Crippen Calculated Property | |
| McVol | 229.340 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | 2815.00 | NIST | |
| Tboil | 873.45 | K | Joback Calculated Property |
| Tc | 1127.41 | K | Joback Calculated Property |
| Tfus | 592.00 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.56; 612.29] | J/mol×K | [873.45; 1127.41] | 
|
| Cp,gas | 566.56 | J/mol×K | 873.45 | Joback Calculated Property |
| Cp,gas | 576.19 | J/mol×K | 915.78 | Joback Calculated Property |
| Cp,gas | 584.92 | J/mol×K | 958.10 | Joback Calculated Property |
| Cp,gas | 592.82 | J/mol×K | 1000.43 | Joback Calculated Property |
| Cp,gas | 599.96 | J/mol×K | 1042.76 | Joback Calculated Property |
| Cp,gas | 606.43 | J/mol×K | 1085.08 | Joback Calculated Property |
| Cp,gas | 612.29 | J/mol×K | 1127.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,4-dichloronaphth-1-yl ester.
Sources
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