Chemical Properties of Benzenemethanamine, 4-methoxy-

InChI

InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3

InChI Key

IDPURXSQCKYKIJ-UHFFFAOYSA-N

Formula

C8H11NO

SMILES

COc1ccc(CN)cc1

Molecular Weight¹

137.18

Other Names

• 4-Methoxybenzenemethanamine
• 4-Methoxybenzylamine
• Anisylamine
• Benzylamine, p-methoxy-
• p-Methoxybenzylamine
• p-anisylamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfH°gas	-79.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.51	kJ/mol	Joback Calculated Property
ΔvapH°	65.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	1.154		Crippen Calculated Property
McVol	115.670	ml/mol	McGowan Calculated Property
Pc	3763.78	kPa	Joback Calculated Property
Inp	[1232.60; 1232.60]
Inp	1232.60		NIST
Inp	1232.60		NIST
Tboil	509.70	K	NIST
Tc	709.17	K	Relay (1.0) Calculated Property
Tfus	263.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[156.26; 364.96]	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			8.00100e+00
Coefficient B			6.24120e-01
Coefficient C			-3.07960e-04
Coefficient D			4.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.26	J/mol×K	273.00	Calculated Property
Cp,gas	192.06	J/mol×K	353.78	Calculated Property
Cp,gas	224.41	J/mol×K	434.56	Calculated Property
Cp,gas	253.43	J/mol×K	515.33	Calculated Property
Cp,gas	279.26	J/mol×K	596.11	Calculated Property
Cp,gas	302.01	J/mol×K	676.89	Calculated Property
Cp,gas	321.83	J/mol×K	757.67	Calculated Property
Cp,gas	338.85	J/mol×K	838.44	Calculated Property
Cp,gas	353.18	J/mol×K	919.22	Calculated Property
Cp,gas	364.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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