Chemical Properties of 3-Benzyloxyaniline (CAS 1484-26-0)

InChI

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

InChI Key

IGPFOKFDBICQMC-UHFFFAOYSA-N

Formula

C13H13NO

SMILES

Nc1cccc(OCc2ccccc2)c1

Molecular Weight¹

199.25

CAS

1484-26-0

Other Names

• Benzenamine, 3-(phenylmethoxy)-
• 3-Aminophenyl benzyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[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 3-Benzyloxyaniline.

Sources

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

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