- InChI
- InChI=1S/C7H8FN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
- InChI Key
- QZUXMXZNVAJNSE-UHFFFAOYSA-N
- Formula
- C7H8FN
- SMILES
- Cc1ccc(F)c(N)c1
- Molecular Weight1
- 125.14
- CAS
- 452-84-6
- Other Names
-
- Benzenamine, 2-fluoro-5-methyl-
- 6-Fluoro-m-toluidine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4341 | Relay (1.0) Calculated Property | |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.90 ± 0.50 | kJ/mol | NIST |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.716 | Crippen Calculated Property | |
| McVol | 97.480 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 466.19 | K | Relay (1.0) Calculated Property |
| Tc | 693.43 | K | Relay (1.0) Calculated Property |
| Tfus | 312.36 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.40; 298.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.80000e+00 | |||
| Coefficient B | 5.44620e-01 | |||
| Coefficient C | -3.13920e-04 | |||
| Coefficient D | 6.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 160.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 186.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 209.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 248.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 277.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 289.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-methylaniline.
Sources
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