Chemical Properties of 4-Benzyloxyaniline

InChI

InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2

InChI Key

FIIDVVUUWRJXLF-UHFFFAOYSA-N

Formula

C13H13NO

SMILES

Nc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

199.25

Other Names

• p-Benzyloxyaniline
• Benzenamine, 4-(phenylmethoxy)-
• Aniline, p-(benzyloxy)-
• 4-Aminophenyl benzyl ether

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6161		Relay (1.0) Calculated Property
ΔfG°	235.22	kJ/mol	Joback Calculated Property
ΔfH°gas	57.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.50	kJ/mol	Joback Calculated Property
ΔvapH°	83.13	kJ/mol	Relay (1.0) Calculated Property
IE	[7.58; 7.60]	eV
IE	7.58	eV	NIST
IE	7.60	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	162.360	ml/mol	McGowan Calculated Property
Pc	3159.72	kPa	Joback Calculated Property
Tboil	606.97	K	Relay (1.0) Calculated Property
Tc	865.49	K	Relay (1.0) Calculated Property
Tfus	354.79	K	Relay (1.0) Calculated Property
Vc	0.585	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.08; 504.39]	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			-3.04490e+01
Coefficient B			1.02020e+00
Coefficient C			-6.11160e-04
Coefficient D			1.25800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.08	J/mol×K	273.00	Calculated Property
Cp,gas	259.55	J/mol×K	353.78	Calculated Property
Cp,gas	307.80	J/mol×K	434.56	Calculated Property
Cp,gas	350.21	J/mol×K	515.33	Calculated Property
Cp,gas	387.18	J/mol×K	596.11	Calculated Property
Cp,gas	419.11	J/mol×K	676.89	Calculated Property
Cp,gas	446.40	J/mol×K	757.67	Calculated Property
Cp,gas	469.44	J/mol×K	838.44	Calculated Property
Cp,gas	488.64	J/mol×K	919.22	Calculated Property
Cp,gas	504.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxyaniline.

Sources

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

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