- InChI
- InChI=1S/C13H14F2O2/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2
- InChI Key
- WKFAPFGSDWYJHF-UHFFFAOYSA-N
- Formula
- C13H14F2O2
- SMILES
- O=C(OC1CCCCC1)c1ccc(F)cc1F
- Molecular Weight1
- 240.25
- 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 | 0.5610 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.454 | Crippen Calculated Property | |
| McVol | 170.390 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | [1598.00; 1598.00] |
|
|
| Inp | 1598.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Tboil | 557.37 | K | Relay (1.0) Calculated Property |
| Tc | 781.73 | K | Relay (1.0) Calculated Property |
| Tfus | 280.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.23; 534.40] | J/mol×K | [627.86; 847.61] |
|
| Cp,gas | 449.23 | J/mol×K | 627.86 | Joback Calculated Property |
| Cp,gas | 466.12 | J/mol×K | 664.49 | Joback Calculated Property |
| Cp,gas | 481.90 | J/mol×K | 701.11 | Joback Calculated Property |
| Cp,gas | 496.60 | J/mol×K | 737.74 | Joback Calculated Property |
| Cp,gas | 510.23 | J/mol×K | 774.36 | Joback Calculated Property |
| Cp,gas | 522.83 | J/mol×K | 810.99 | Joback Calculated Property |
| Cp,gas | 534.40 | J/mol×K | 847.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, cyclohexyl ester.
Sources
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