- InChI
- InChI=1S/C9H9FO2/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3
- InChI Key
- UUPBRSSRAJMNRL-UHFFFAOYSA-N
- Formula
- C9H9FO2
- SMILES
- CC(=O)OCc1cccc(F)c1
- Molecular Weight1
- 168.16
- 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° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.889 | Crippen Calculated Property | |
| McVol | 123.120 | ml/mol | McGowan Calculated Property |
| Inp | [1178.00; 1178.00] |
|
|
| Inp | 1178.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Tboil | 465.95 | K | Relay (1.0) Calculated Property |
| Tfus | 235.77 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.07; 323.38] | J/mol×K | [494.67; 698.06] |
|
| Cp,gas | 261.07 | J/mol×K | 494.67 | Joback Calculated Property |
| Cp,gas | 273.03 | J/mol×K | 528.57 | Joback Calculated Property |
| Cp,gas | 284.35 | J/mol×K | 562.47 | Joback Calculated Property |
| Cp,gas | 295.03 | J/mol×K | 596.37 | Joback Calculated Property |
| Cp,gas | 305.09 | J/mol×K | 630.27 | Joback Calculated Property |
| Cp,gas | 314.54 | J/mol×K | 664.17 | Joback Calculated Property |
| Cp,gas | 323.38 | J/mol×K | 698.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (3-fluorophenyl)methyl 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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