Chemical Properties of 2-Amino-6-fluorobenzylamine

InChI

InChI=1S/C7H9FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,4,9-10H2

InChI Key

KBIXYFABFIYSAU-UHFFFAOYSA-N

Formula

C7H9FN2

SMILES

NCc1c(N)cccc1F

Molecular Weight¹

140.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[150.77; 334.87]	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			1.02910e+01
Coefficient B			6.06500e-01
Coefficient C			-3.57320e-04
Coefficient D			7.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.77	J/mol×K	273.00	Calculated Property
Cp,gas	183.47	J/mol×K	353.78	Calculated Property
Cp,gas	212.56	J/mol×K	434.56	Calculated Property
Cp,gas	238.27	J/mol×K	515.33	Calculated Property
Cp,gas	260.83	J/mol×K	596.11	Calculated Property
Cp,gas	280.49	J/mol×K	676.89	Calculated Property
Cp,gas	297.49	J/mol×K	757.67	Calculated Property
Cp,gas	312.06	J/mol×K	838.44	Calculated Property
Cp,gas	324.44	J/mol×K	919.22	Calculated Property
Cp,gas	334.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-6-fluorobenzylamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.