- InChI
- InChI=1S/C15H12F2O2/c1-2-10-4-3-5-12(8-10)19-15(18)13-7-6-11(16)9-14(13)17/h3-9H,2H2,1H3
- InChI Key
- WTPBFFIUTFWTNU-UHFFFAOYSA-N
- Formula
- C15H12F2O2
- SMILES
- CCc1cccc(OC(=O)c2ccc(F)cc2F)c1
- Molecular Weight1
- 262.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6624 | Relay (... Calculated Property | |
| ΔfG° | -352.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.87 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -5.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 185.670 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | [1842.00; 1842.00] |
|
|
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Tboil | 584.96 | K | Relay (... Calculated Property |
| Tc | 827.29 | K | Relay (... Calculated Property |
| Tfus | 291.94 | K | Relay (... Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.81; 548.57] | J/mol×K | [685.73; 905.30] |
|
| Cp,gas | 479.81 | J/mol×K | 685.73 | Joback Calculated Property |
| Cp,gas | 493.59 | J/mol×K | 722.32 | Joback Calculated Property |
| Cp,gas | 506.40 | J/mol×K | 758.92 | Joback Calculated Property |
| Cp,gas | 518.28 | J/mol×K | 795.51 | Joback Calculated Property |
| Cp,gas | 529.25 | J/mol×K | 832.11 | Joback Calculated Property |
| Cp,gas | 539.34 | J/mol×K | 868.70 | Joback Calculated Property |
| Cp,gas | 548.57 | J/mol×K | 905.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 3-ethylphenyl ester.
Sources
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