- InChI
- InChI=1S/C16H14F2O2/c1-2-5-11-6-3-4-7-15(11)20-16(19)13-9-8-12(17)10-14(13)18/h3-4,6-10H,2,5H2,1H3
- InChI Key
- FZOUBYMAECBBBL-UHFFFAOYSA-N
- Formula
- C16H14F2O2
- SMILES
- CCCc1ccccc1OC(=O)c1ccc(F)cc1F
- Molecular Weight1
- 276.28
- 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° | -343.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 4.136 | Crippen Calculated Property | |
| McVol | 199.760 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [1846.00; 1846.00] |
|
|
| Inp | 1846.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Tboil | 708.61 | K | Joback Calculated Property |
| Tc | 924.70 | K | Joback Calculated Property |
| Tfus | 433.82 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.87; 602.96] | J/mol×K | [708.61; 924.70] |
|
| Cp,gas | 531.87 | J/mol×K | 708.61 | Joback Calculated Property |
| Cp,gas | 546.09 | J/mol×K | 744.62 | Joback Calculated Property |
| Cp,gas | 559.33 | J/mol×K | 780.64 | Joback Calculated Property |
| Cp,gas | 571.60 | J/mol×K | 816.65 | Joback Calculated Property |
| Cp,gas | 582.95 | J/mol×K | 852.67 | Joback Calculated Property |
| Cp,gas | 593.39 | J/mol×K | 888.68 | Joback Calculated Property |
| Cp,gas | 602.96 | J/mol×K | 924.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Difluorobenzoic acid, 2-propylphenyl ester.
Sources
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