- InChI
- InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
- InChI Key
- KRZCOLNOCZKSDF-UHFFFAOYSA-N
- Formula
- C6H6FN
- SMILES
- Nc1ccc(F)cc1
- Molecular Weight1
- 111.12
- CAS
- 371-40-4
- Other Names
-
- Benzenamine, 4-fluoro-
- Aniline, p-fluoro-
- p-Fluorophenylamine
- 4-Fluoroaniline
- 4-Fluoronaniline
- 4-Fluorobenzenamine
- Aniline, 4-fluoro-
- 1-Amino-4-fluorobenzene
- 4-Fluoranilin
- UN 2944
- NSC 579
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| PAff | 871.50 | kJ/mol | NIST |
| BasG | 839.70 | kJ/mol | NIST |
| ΔcH°liquid | -3273.00 | kJ/mol | NIST |
| ΔfG° | -25.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.80 ± 0.80 | kJ/mol | NIST |
| IE | [7.90; 8.18] | eV |
|
| IE | 7.90 ± 0.10 | eV | NIST |
| IE | 8.18 | eV | NIST |
| IE | 8.18 | eV | NIST |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.408 | Crippen Calculated Property | |
| McVol | 83.390 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Inp | [967.60; 1001.00] |
|
|
| Inp | 1001.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 967.60 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 967.60 | NIST | |
| Tboil | 461.00 | K | NIST |
| Tc | 658.85 | K | Joback Calculated Property |
| Tfus | [271.25; 314.65] | K |
|
| Tfus | 271.25 | K | NIST |
| Tfus | 314.65 ± 1.50 | K | NIST |
| Vc | 0.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.82; 206.21] | J/mol×K | [440.14; 658.85] |
|
| Cp,gas | 157.82 | J/mol×K | 440.14 | Joback Calculated Property |
| Cp,gas | 167.25 | J/mol×K | 476.59 | Joback Calculated Property |
| Cp,gas | 176.10 | J/mol×K | 513.04 | Joback Calculated Property |
| Cp,gas | 184.40 | J/mol×K | 549.50 | Joback Calculated Property |
| Cp,gas | 192.17 | J/mol×K | 585.95 | Joback Calculated Property |
| Cp,gas | 199.43 | J/mol×K | 622.40 | Joback Calculated Property |
| Cp,gas | 206.21 | J/mol×K | 658.85 | Joback Calculated Property |
| Cp,liquid | 195.20 | J/mol×K | 298.15 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [358.20; 460.20] | K | [2.50; 102.00] |
|
| Tboilr | 358.20 | K | 2.50 | NIST |
| Tboilr | 460.20 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to p-Fluoroaniline.
Sources
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