- InChI
- InChI=1S/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
- InChI Key
- VURNBRZIFABCRU-UHFFFAOYSA-N
- Formula
- C9H9FO3
- SMILES
- COc1ccc(CC(=O)O)cc1F
- Molecular Weight1
- 184.16
- CAS
- 452-14-2
- Other Names
-
- Benzeneacetic acid, 3-fluoro-4-methoxy-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7286 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.461 | Crippen Calculated Property | |
| McVol | 128.990 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Tboil | 550.88 | K | Relay (1.0) Calculated Property |
| Tc | 769.03 | K | Relay (1.0) Calculated Property |
| Tfus | 391.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.08; 359.57] | J/mol×K | [609.70; 804.10] | 
|
| Cp,gas | 310.08 | J/mol×K | 609.70 | Joback Calculated Property |
| Cp,gas | 319.55 | J/mol×K | 642.10 | Joback Calculated Property |
| Cp,gas | 328.52 | J/mol×K | 674.50 | Joback Calculated Property |
| Cp,gas | 337.00 | J/mol×K | 706.90 | Joback Calculated Property |
| Cp,gas | 345.00 | J/mol×K | 739.30 | Joback Calculated Property |
| Cp,gas | 352.52 | J/mol×K | 771.70 | Joback Calculated Property |
| Cp,gas | 359.57 | J/mol×K | 804.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-methoxyphenylacetic acid.
Sources
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