Chemical Properties of Benzenamine, 4-methoxy- (CAS 104-94-9)

InChI

InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChI Key

BHAAPTBBJKJZER-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

COc1ccc(N)cc1

Molecular Weight¹

123.15

CAS

104-94-9

Other Names

• 1-Amino-4-methoxybenzene
• 4-Aminoanisole
• 4-Anisidine
• 4-Methoxy-1-aminobenzene
• 4-Methoxyaniline
• 4-Methoxybenzenamine
• 4-Methoxybenzeneamine
• Aniline, p-methoxy-
• Anisidine
• Anisole, p-amino-
• NSC 7921
• p-Aminoanisole
• p-Anisidine
• p-Anisylamine
• p-Methoxyaniline
• p-Methoxyphenylamine
• para-Anisidine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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
ω	0.5110		Relay (1.0) Calculated Property
PAff	900.30	kJ/mol	NIST
BasG	868.50	kJ/mol	NIST
ΔfH°gas	-62.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.92	kJ/mol	Joback Calculated Property
ΔvapH°	62.48	kJ/mol	Relay (1.0) Calculated Property
IE	[6.92; 9.39]	eV
IE	7.08	eV	NIST
IE	7.44	eV	NIST
IE	Outlier 9.39	eV	NIST
IE	6.92	eV	NIST
IE	7.40 ± 0.10	eV	NIST
IE	7.82	eV	NIST
IE	7.58	eV	NIST
IE	7.58 ± 0.01	eV	NIST
IE	7.60 ± 0.10	eV	NIST
log10WS	-1.29		Relay (1.0) Calculated Property
logPoct/wat	1.277		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Pc	4249.61	kPa	Joback Calculated Property
Inp	[1174.00; 1199.00]
Inp	1199.00		NIST
Inp	1199.00		NIST
Inp	1174.00		NIST
Inp	1174.00		NIST
Inp	1174.00		NIST
Tboil	[514.70; 516.15]	K
Tboil	514.70	K	NIST
Tboil	516.15 ± 1.00	K	NIST
Tc	716.43	K	Relay (1.0) Calculated Property
Tfus	[330.35; 331.20]	K
Tfus	330.75	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	331.20 ± 0.20	K	NIST
Tfus	330.35 ± 0.50	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[135.05; 313.37]	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			8.91000e+00
Coefficient B			5.29120e-01
Coefficient C			-2.53560e-04
Coefficient D			2.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.05	J/mol×K	273.00	Calculated Property
Cp,gas	165.65	J/mol×K	353.78	Calculated Property
Cp,gas	193.33	J/mol×K	434.56	Calculated Property
Cp,gas	218.20	J/mol×K	515.33	Calculated Property
Cp,gas	240.34	J/mol×K	596.11	Calculated Property
Cp,gas	259.85	J/mol×K	676.89	Calculated Property
Cp,gas	276.82	J/mol×K	757.67	Calculated Property
Cp,gas	291.33	J/mol×K	838.44	Calculated Property
Cp,gas	303.49	J/mol×K	919.22	Calculated Property
Cp,gas	313.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 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

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