- InChI
- InChI=1S/C13H16F2O2/c1-9(2)4-3-7-17-13(16)11-6-5-10(14)8-12(11)15/h5-6,8-9H,3-4,7H2,1-2H3
- InChI Key
- HQMKNJNCQHNEQZ-UHFFFAOYSA-N
- Formula
- C13H16F2O2
- SMILES
- CC(C)CCCOC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 242.26
- 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° | -474.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.558 | Crippen Calculated Property | |
| McVol | 181.250 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Inp | [1513.00; 1513.00] |
|
|
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Tboil | 607.87 | K | Joback Calculated Property |
| Tc | 799.01 | K | Joback Calculated Property |
| Tfus | 346.07 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.33; 534.45] | J/mol×K | [607.87; 799.01] |
|
| Cp,gas | 459.33 | J/mol×K | 607.87 | Joback Calculated Property |
| Cp,gas | 473.63 | J/mol×K | 639.73 | Joback Calculated Property |
| Cp,gas | 487.21 | J/mol×K | 671.58 | Joback Calculated Property |
| Cp,gas | 500.06 | J/mol×K | 703.44 | Joback Calculated Property |
| Cp,gas | 512.21 | J/mol×K | 735.30 | Joback Calculated Property |
| Cp,gas | 523.67 | J/mol×K | 767.15 | Joback Calculated Property |
| Cp,gas | 534.45 | J/mol×K | 799.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, isohexyl ester.
Sources
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