- InChI
- InChI=1S/C16H22ClFO2/c1-2-3-4-5-6-7-8-12-20-16(19)13-10-9-11-14(17)15(13)18/h9-11H,2-8,12H2,1H3
- InChI Key
- YEPDZSCGKHKQML-UHFFFAOYSA-N
- Formula
- C16H22ClFO2
- SMILES
- CCCCCCCCCOC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 300.80
- 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° | -263.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.387 | Crippen Calculated Property | |
| McVol | 233.990 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 715.11 | K | Joback Calculated Property |
| Tc | 908.91 | K | Joback Calculated Property |
| Tfus | 424.21 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.96; 715.72] | J/mol×K | [715.11; 908.91] |
|
| Cp,gas | 636.96 | J/mol×K | 715.11 | Joback Calculated Property |
| Cp,gas | 652.18 | J/mol×K | 747.41 | Joback Calculated Property |
| Cp,gas | 666.53 | J/mol×K | 779.71 | Joback Calculated Property |
| Cp,gas | 680.03 | J/mol×K | 812.01 | Joback Calculated Property |
| Cp,gas | 692.72 | J/mol×K | 844.31 | Joback Calculated Property |
| Cp,gas | 704.61 | J/mol×K | 876.61 | Joback Calculated Property |
| Cp,gas | 715.72 | J/mol×K | 908.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, nonyl ester.
Sources
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