Chemical Properties of Benzenemethanamine, 4-fluoro- (CAS 140-75-0)

InChI

InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

InChI Key

IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Formula

C7H8FN

SMILES

NCc1ccc(F)cc1

Molecular Weight¹

125.14

CAS

140-75-0

Other Names

• Benzylamine, p-fluoro-
• 4-Fluorobenzylamine
• p-Fluorobenzylamine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4101		Relay (1.0) Calculated Property
ΔfG°	-17.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.81	kJ/mol	Joback Calculated Property
ΔvapH°	56.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-1.02		Relay (1.0) Calculated Property
logPoct/wat	1.284		Crippen Calculated Property
McVol	97.480	ml/mol	McGowan Calculated Property
Pc	4098.62	kPa	Joback Calculated Property
Inp	996.20		NIST
Tboil	[456.00; 456.20]	K
Tboil	456.00	K	NIST
Tboil	456.20	K	NIST
Tc	661.33	K	Relay (1.0) Calculated Property
Tfus	272.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.84; 301.94]	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			-1.04990e+01
Coefficient B			6.04100e-01
Coefficient C			-3.80960e-04
Coefficient D			8.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.84	J/mol×K	273.00	Calculated Property
Cp,gas	159.49	J/mol×K	353.78	Calculated Property
Cp,gas	187.40	J/mol×K	434.56	Calculated Property
Cp,gas	211.86	J/mol×K	515.33	Calculated Property
Cp,gas	233.15	J/mol×K	596.11	Calculated Property
Cp,gas	251.56	J/mol×K	676.89	Calculated Property
Cp,gas	267.35	J/mol×K	757.67	Calculated Property
Cp,gas	280.83	J/mol×K	838.44	Calculated Property
Cp,gas	292.26	J/mol×K	919.22	Calculated Property
Cp,gas	301.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, 4-fluoro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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