- InChI
- InChI=1S/C10H7F5O3/c1-17-2-3-18-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h2-3H2,1H3
- InChI Key
- QZFWGQDBNKUOLE-UHFFFAOYSA-N
- Formula
- C10H7F5O3
- SMILES
-
COCCOC(=O)c1c(F)c(F)c(F)c(F)c1
F - Molecular Weight1
- 270.15
- 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).
- IE : Ionization energy (eV).
- 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 | -1220.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.185 | Crippen Calculated Property | |
| McVol | 150.160 | ml/mol | McGowan Calculated Property |
| Inp | [1269.00; 1269.00] |
|
|
| Inp | 1269.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Tboil | 500.56 | K | Relay (1.0) Calculated Property |
| Tc | 686.18 | K | Relay (1.0) Calculated Property |
| Tfus | 271.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [245.85; 463.47] | 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 | 1.12752e+02 | |||
| Coefficient B | 5.18420e-01 | |||
| Coefficient C | -9.26000e-05 | |||
| Coefficient D | -7.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 245.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 281.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 314.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 372.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 463.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate.
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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