- InChI
- InChI=1S/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
- InChI Key
- JSKXHTHMCCDEGD-UHFFFAOYSA-N
- Formula
- C7H6FNO2
- SMILES
- Nc1ccc(C(=O)O)cc1F
- Molecular Weight1
- 155.13
- CAS
- 455-87-8
- 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° | -292.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.106 | Crippen Calculated Property | |
| McVol | 104.920 | ml/mol | McGowan Calculated Property |
| Pc | 4945.39 | kPa | Joback Calculated Property |
| Tboil | 614.05 | K | Joback Calculated Property |
| Tc | 823.95 | K | Joback Calculated Property |
| Tfus | 414.71 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.86; 285.50] | J/mol×K | [614.05; 823.95] | 
|
| Cp,gas | 246.86 | J/mol×K | 614.05 | Joback Calculated Property |
| Cp,gas | 254.46 | J/mol×K | 649.03 | Joback Calculated Property |
| Cp,gas | 261.57 | J/mol×K | 684.02 | Joback Calculated Property |
| Cp,gas | 268.22 | J/mol×K | 719.00 | Joback Calculated Property |
| Cp,gas | 274.41 | J/mol×K | 753.98 | Joback Calculated Property |
| Cp,gas | 280.17 | J/mol×K | 788.97 | Joback Calculated Property |
| Cp,gas | 285.50 | J/mol×K | 823.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-fluorobenzoic acid.
Sources
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