- InChI
- InChI=1S/C15H13FO2/c1-2-11-6-5-7-12(10-11)18-15(17)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3
- InChI Key
- DIANMQIKLBLKOI-UHFFFAOYSA-N
- Formula
- C15H13FO2
- SMILES
- CCc1cccc(OC(=O)c2ccccc2F)c1
- Molecular Weight1
- 244.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -147.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.607 | Crippen Calculated Property | |
| McVol | 183.900 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | 1932.00 | NIST | |
| Tboil | 681.48 | K | Joback Calculated Property |
| Tc | 910.11 | K | Joback Calculated Property |
| Tfus | 409.44 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.85; 545.35] | J/mol×K | [681.48; 910.11] | 
|
| Cp,gas | 472.85 | J/mol×K | 681.48 | Joback Calculated Property |
| Cp,gas | 487.50 | J/mol×K | 719.58 | Joback Calculated Property |
| Cp,gas | 501.06 | J/mol×K | 757.69 | Joback Calculated Property |
| Cp,gas | 513.60 | J/mol×K | 795.79 | Joback Calculated Property |
| Cp,gas | 525.13 | J/mol×K | 833.90 | Joback Calculated Property |
| Cp,gas | 535.70 | J/mol×K | 872.00 | Joback Calculated Property |
| Cp,gas | 545.35 | J/mol×K | 910.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 3-ethylphenyl ester.
Sources
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