Chemical Properties of Benzenemethanamine, 4-methoxy- (CAS 2393-23-9)

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

CAS

2393-23-9

Other Names

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

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	80.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.82	kJ/mol	Joback Calculated Property
ΔfusH°	16.51	kJ/mol	Joback Calculated Property
ΔvapH°	49.39	kJ/mol	Joback Calculated Property
log10WS	-1.90		Crippen 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	730.98	K	Joback Calculated Property
Tfus	324.35	K	Joback Calculated Property
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.29; 315.60]	J/mol×K	[509.05; 730.98]
Cp,gas	251.29	J/mol×K	509.05	Joback Calculated Property
Cp,gas	263.62	J/mol×K	546.04	Joback Calculated Property
Cp,gas	275.28	J/mol×K	583.03	Joback Calculated Property
Cp,gas	286.30	J/mol×K	620.01	Joback Calculated Property
Cp,gas	296.69	J/mol×K	657.00	Joback Calculated Property
Cp,gas	306.45	J/mol×K	693.99	Joback Calculated Property
Cp,gas	315.60	J/mol×K	730.98	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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