- 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).
- 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° | -157.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.662 | Crippen Calculated Property | |
| McVol | 183.900 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | 1945.00 | NIST | |
| Tboil | 686.46 | K | Joback Calculated Property |
| Tc | 915.93 | K | Joback Calculated Property |
| Tfus | 421.96 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
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
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