- InChI
- InChI=1S/C15H13FO2/c1-10-6-5-9-14(11(10)2)18-15(17)12-7-3-4-8-13(12)16/h3-9H,1-2H3
- InChI Key
- IAXVIYGMQYIILF-UHFFFAOYSA-N
- Formula
- C15H13FO2
- SMILES
- Cc1cccc(OC(=O)c2ccccc2F)c1C
- Molecular Weight1
- 244.26
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -438.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.662 | Crippen Calculated Property | |
| McVol | 183.900 | ml/mol | McGowan Calculated Property |
| Inp | 1945.00 | NIST | |
| Tboil | 587.64 | K | Relay (1.0) Calculated Property |
| Tfus | 326.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.83; 543.67] | J/mol×K | [686.46; 915.93] | 
|
| Cp,gas | 471.83 | J/mol×K | 686.46 | Joback Calculated Property |
| Cp,gas | 486.31 | J/mol×K | 724.71 | Joback Calculated Property |
| Cp,gas | 499.74 | J/mol×K | 762.95 | Joback Calculated Property |
| Cp,gas | 512.16 | J/mol×K | 801.20 | Joback Calculated Property |
| Cp,gas | 523.61 | J/mol×K | 839.44 | Joback Calculated Property |
| Cp,gas | 534.10 | J/mol×K | 877.69 | Joback Calculated Property |
| Cp,gas | 543.67 | J/mol×K | 915.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 2,3-dimethylphenyl 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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