- InChI
- InChI=1S/C15H20ClFO2/c1-3-5-7-11(4-2)10-19-15(18)12-8-6-9-13(16)14(12)17/h6,8-9,11H,3-5,7,10H2,1-2H3
- InChI Key
- SKMMTQPNCQYOFR-UHFFFAOYSA-N
- Formula
- C15H20ClFO2
- SMILES
- CCCCC(CC)COC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 286.77
- 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° | -274.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.852 | Crippen Calculated Property | |
| McVol | 219.900 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | 1912.00 | NIST | |
| Tboil | 691.79 | K | Joback Calculated Property |
| Tc | 890.33 | K | Joback Calculated Property |
| Tfus | 397.94 | K | Joback Calculated Property |
| Vc | 0.853 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.43; 661.17] | J/mol×K | [691.79; 890.33] | 
|
| Cp,gas | 583.43 | J/mol×K | 691.79 | Joback Calculated Property |
| Cp,gas | 598.49 | J/mol×K | 724.88 | Joback Calculated Property |
| Cp,gas | 612.68 | J/mol×K | 757.97 | Joback Calculated Property |
| Cp,gas | 626.03 | J/mol×K | 791.06 | Joback Calculated Property |
| Cp,gas | 638.54 | J/mol×K | 824.15 | Joback Calculated Property |
| Cp,gas | 650.25 | J/mol×K | 857.24 | Joback Calculated Property |
| Cp,gas | 661.17 | J/mol×K | 890.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2-ethylhexyl ester.
Sources
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