- InChI
- InChI=1S/C15H20ClFO2/c1-2-3-4-5-6-7-11-19-15(18)12-9-8-10-13(16)14(12)17/h8-10H,2-7,11H2,1H3
- InChI Key
- FYYLECUEXKEEKF-UHFFFAOYSA-N
- Formula
- C15H20ClFO2
- SMILES
- CCCCCCCCOC(=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° | -272.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -595.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.996 | Crippen Calculated Property | |
| McVol | 219.900 | ml/mol | McGowan Calculated Property |
| Pc | 1746.28 | kPa | Joback Calculated Property |
| Inp | [2012.00; 2012.00] |
|
|
| Inp | 2012.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Tboil | 692.23 | K | Joback Calculated Property |
| Tc | 887.63 | K | Joback Calculated Property |
| Tfus | 412.94 | K | Joback Calculated Property |
| Vc | 0.859 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.92; 659.61] | J/mol×K | [692.23; 887.63] |
|
| Cp,gas | 582.92 | J/mol×K | 692.23 | Joback Calculated Property |
| Cp,gas | 597.72 | J/mol×K | 724.80 | Joback Calculated Property |
| Cp,gas | 611.68 | J/mol×K | 757.36 | Joback Calculated Property |
| Cp,gas | 624.83 | J/mol×K | 789.93 | Joback Calculated Property |
| Cp,gas | 637.19 | J/mol×K | 822.50 | Joback Calculated Property |
| Cp,gas | 648.78 | J/mol×K | 855.06 | Joback Calculated Property |
| Cp,gas | 659.61 | J/mol×K | 887.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, octyl ester.
Sources
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