- InChI
- InChI=1S/C13H9FO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h1-9H
- InChI Key
- DIDWZIWYRUFMSZ-UHFFFAOYSA-N
- Formula
- C13H9FO2
- SMILES
- O=C(Oc1ccccc1)c1cccc(F)c1
- Molecular Weight1
- 216.21
- 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° | -154.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.045 | Crippen Calculated Property | |
| McVol | 155.720 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | 1597.00 | NIST | |
| Tboil | 630.74 | K | Joback Calculated Property |
| Tc | 867.75 | K | Joback Calculated Property |
| Tfus | 374.38 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.72; 441.00] | J/mol×K | [630.74; 867.75] | 
|
| Cp,gas | 373.72 | J/mol×K | 630.74 | Joback Calculated Property |
| Cp,gas | 387.46 | J/mol×K | 670.24 | Joback Calculated Property |
| Cp,gas | 400.13 | J/mol×K | 709.74 | Joback Calculated Property |
| Cp,gas | 411.78 | J/mol×K | 749.25 | Joback Calculated Property |
| Cp,gas | 422.45 | J/mol×K | 788.75 | Joback Calculated Property |
| Cp,gas | 432.17 | J/mol×K | 828.25 | Joback Calculated Property |
| Cp,gas | 441.00 | J/mol×K | 867.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, phenyl ester.
Sources
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