- InChI
- InChI=1S/C10H10ClFO2/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6H,1-2H3
- InChI Key
- HZFZKJTTXAZAHD-UHFFFAOYSA-N
- Formula
- C10H10ClFO2
- SMILES
- CC(C)OC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 216.64
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5245 | Relay (1.0) Calculated Property | |
| ΔfG° | -316.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 149.450 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 1410.00 | NIST | |
| Tboil | 500.49 | K | Relay (1.0) Calculated Property |
| Tc | 713.28 | K | Relay (1.0) Calculated Property |
| Tfus | 277.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.89; 395.45] | J/mol×K | [577.39; 790.54] | 
|
| Cp,gas | 333.89 | J/mol×K | 577.39 | Joback Calculated Property |
| Cp,gas | 345.79 | J/mol×K | 612.92 | Joback Calculated Property |
| Cp,gas | 357.03 | J/mol×K | 648.44 | Joback Calculated Property |
| Cp,gas | 367.61 | J/mol×K | 683.97 | Joback Calculated Property |
| Cp,gas | 377.53 | J/mol×K | 719.49 | Joback Calculated Property |
| Cp,gas | 386.81 | J/mol×K | 755.02 | Joback Calculated Property |
| Cp,gas | 395.45 | J/mol×K | 790.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, isopropyl ester.
Sources
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