- InChI
- InChI=1S/C17H14F2O4/c18-12-4-1-6-14(10-12)22-16(20)8-3-9-17(21)23-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2
- InChI Key
- VRDCLTDCFLVVNE-UHFFFAOYSA-N
- Formula
- C17H14F2O4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(F)c1)Oc1cc
cc(F)c1 - Molecular Weight1
- 320.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 41.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 221.290 | ml/mol | McGowan Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 632.32 | K | Relay (1.0) Calculated Property |
| Tfus | 346.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [305.78; 683.60] | 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 | 1.12230e+01 | |||
| Coefficient B | 1.25600e+00 | |||
| Coefficient C | -6.72920e-04 | |||
| Coefficient D | 8.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 305.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 375.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 437.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 492.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 539.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 580.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 615.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 643.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 666.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 683.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3-fluorophenyl) 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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