- InChI
- InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- JVBLXLBINTYFPR-UHFFFAOYSA-N
- Formula
- C8H7FO2
- SMILES
- Cc1ccc(F)cc1C(=O)O
- Molecular Weight1
- 154.14
- CAS
- 33184-16-6
- Other Names
-
- Benzoic acid, 5-fluoro-2-methyl-
- 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 | 0.6590 | Relay (1.0) Calculated Property | |
| ΔfG° | -350.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.832 | Crippen Calculated Property | |
| McVol | 109.030 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 519.00 | K | Relay (1.0) Calculated Property |
| Tc | 749.34 | K | Relay (1.0) Calculated Property |
| Tfus | 400.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.15; 287.81] | J/mol×K | [564.40; 763.02] | 
|
| Cp,gas | 243.15 | J/mol×K | 564.40 | Joback Calculated Property |
| Cp,gas | 251.74 | J/mol×K | 597.50 | Joback Calculated Property |
| Cp,gas | 259.85 | J/mol×K | 630.61 | Joback Calculated Property |
| Cp,gas | 267.50 | J/mol×K | 663.71 | Joback Calculated Property |
| Cp,gas | 274.70 | J/mol×K | 696.82 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 729.92 | Joback Calculated Property |
| Cp,gas | 287.81 | J/mol×K | 763.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Fluoro-2-methylbenzoic acid.
Sources
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