- InChI
- InChI=1S/C19H28ClFO2/c1-2-3-4-5-6-7-8-9-10-11-15-23-19(22)16-13-12-14-17(20)18(16)21/h12-14H,2-11,15H2,1H3
- InChI Key
- MUKSKSBEVNLRGR-UHFFFAOYSA-N
- Formula
- C19H28ClFO2
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(Cl)c1
F - Molecular Weight1
- 342.88
- Other Names
-
- 3-Chloro-2-fluorobenzoic acid, dodceyl ester
- 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° | -238.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.21 | kJ/mol | Joback Calculated Property |
| log10WS | -7.34 | Crippen Calculated Property | |
| logPoct/wat | 6.557 | Crippen Calculated Property | |
| McVol | 276.260 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | [2417.00; 2417.00] |
|
|
| Inp | 2417.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Tboil | 783.75 | K | Joback Calculated Property |
| Tc | 975.77 | K | Joback Calculated Property |
| Tfus | 458.02 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.84; 889.48] | J/mol×K | [783.75; 975.77] |
|
| Cp,gas | 805.84 | J/mol×K | 783.75 | Joback Calculated Property |
| Cp,gas | 822.09 | J/mol×K | 815.75 | Joback Calculated Property |
| Cp,gas | 837.37 | J/mol×K | 847.76 | Joback Calculated Property |
| Cp,gas | 851.72 | J/mol×K | 879.76 | Joback Calculated Property |
| Cp,gas | 865.18 | J/mol×K | 911.76 | Joback Calculated Property |
| Cp,gas | 877.75 | J/mol×K | 943.77 | Joback Calculated Property |
| Cp,gas | 889.48 | J/mol×K | 975.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, dodecyl ester.
Sources
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