- InChI
- InChI=1S/C10H11FO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
- InChI Key
- IOQAFIPZQVBMTK-UHFFFAOYSA-N
- Formula
- C10H11FO2
- SMILES
- CCCOC(=O)c1ccccc1F
- Molecular Weight1
- 182.19
- CAS
- 811465-80-2
- Other Names
-
- Benzoic acid, 2-fluoro-, propyl ester
- 2-Fluorobenzoic acid, propyl ester
- 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° | -292.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.393 | Crippen Calculated Property | |
| McVol | 137.210 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | 1324.00 | NIST | |
| Tboil | 535.42 | K | Joback Calculated Property |
| Tc | 738.70 | K | Joback Calculated Property |
| Tfus | 314.15 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.55; 374.58] | J/mol×K | [535.42; 738.70] | 
|
| Cp,gas | 308.55 | J/mol×K | 535.42 | Joback Calculated Property |
| Cp,gas | 321.15 | J/mol×K | 569.30 | Joback Calculated Property |
| Cp,gas | 333.10 | J/mol×K | 603.18 | Joback Calculated Property |
| Cp,gas | 344.41 | J/mol×K | 637.06 | Joback Calculated Property |
| Cp,gas | 355.08 | J/mol×K | 670.94 | Joback Calculated Property |
| Cp,gas | 365.13 | J/mol×K | 704.82 | Joback Calculated Property |
| Cp,gas | 374.58 | J/mol×K | 738.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl 2-fluorobenzoate.
Sources
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