- InChI
- InChI=1S/C14H18ClFO2/c1-2-3-4-5-6-10-18-14(17)11-8-7-9-12(15)13(11)16/h7-9H,2-6,10H2,1H3
- InChI Key
- NWJMUVQKIPIXGR-UHFFFAOYSA-N
- Formula
- C14H18ClFO2
- SMILES
- CCCCCCCOC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 272.74
- 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° | -280.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.606 | Crippen Calculated Property | |
| McVol | 205.810 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | 1907.00 | NIST | |
| Tboil | 669.35 | K | Joback Calculated Property |
| Tc | 866.76 | K | Joback Calculated Property |
| Tfus | 401.67 | K | Joback Calculated Property |
| Vc | 0.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.14; 604.44] | J/mol×K | [669.35; 866.76] | 
|
| Cp,gas | 530.14 | J/mol×K | 669.35 | Joback Calculated Property |
| Cp,gas | 544.46 | J/mol×K | 702.25 | Joback Calculated Property |
| Cp,gas | 557.99 | J/mol×K | 735.15 | Joback Calculated Property |
| Cp,gas | 570.73 | J/mol×K | 768.06 | Joback Calculated Property |
| Cp,gas | 582.71 | J/mol×K | 800.96 | Joback Calculated Property |
| Cp,gas | 593.94 | J/mol×K | 833.86 | Joback Calculated Property |
| Cp,gas | 604.44 | J/mol×K | 866.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, heptyl ester.
Sources
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