- InChI
- InChI=1S/C9H8F2O3/c1-2-13-9(12)14-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3
- InChI Key
- JNQNBNWVOCKDKL-UHFFFAOYSA-N
- Formula
- C9H8F2O3
- SMILES
- CCOC(=O)Oc1cc(F)cc(F)c1
- Molecular Weight1
- 202.15
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -867.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.500 | Crippen Calculated Property | |
| McVol | 130.760 | ml/mol | McGowan Calculated Property |
| Inp | [1169.00; 1169.00] |
|
|
| Inp | 1169.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Tboil | 479.54 | K | Relay (1.0) Calculated Property |
| Tc | 671.35 | K | Relay (1.0) Calculated Property |
| Tfus | 261.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.39; 399.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.24910e+01 | |||
| Coefficient B | 5.66520e-01 | |||
| Coefficient C | -1.90120e-04 | |||
| Coefficient D | -2.91000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 316.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 359.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 376.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 390.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 399.79 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, ethyl 3,5-difluophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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