- InChI
- InChI=1S/C11H11FO4/c1-16-10-4-2-7(6-8(10)12)9(13)3-5-11(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)
- InChI Key
- SNRFVYKMDZSFED-UHFFFAOYSA-N
- Formula
- C11H11FO4
- SMILES
- COc1ccc(C(=O)CCC(=O)O)cc1F
- Molecular Weight1
- 226.20
- CAS
- 347-63-7
- Other Names
-
- 3-(3-Fluoro-4-methoxybenzoyl)propionic acid
- Benzenebutanoic acid, 3-fluoro-4-methoxy-«gamma»-oxo-
- 3-(3'-Fluoro-p-anisoyl)propionic acid
- 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).
- 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° | -559.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 158.740 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 709.33 | K | Joback Calculated Property |
| Tc | 906.44 | K | Joback Calculated Property |
| Tfus | 448.69 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.01; 468.10] | J/mol×K | [709.33; 906.44] | 
|
| Cp,gas | 418.01 | J/mol×K | 709.33 | Joback Calculated Property |
| Cp,gas | 427.87 | J/mol×K | 742.18 | Joback Calculated Property |
| Cp,gas | 437.12 | J/mol×K | 775.03 | Joback Calculated Property |
| Cp,gas | 445.75 | J/mol×K | 807.89 | Joback Calculated Property |
| Cp,gas | 453.79 | J/mol×K | 840.74 | Joback Calculated Property |
| Cp,gas | 461.24 | J/mol×K | 873.59 | Joback Calculated Property |
| Cp,gas | 468.10 | J/mol×K | 906.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(3-Fluoro-para-anisoyl)-propionic acid.
Sources
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