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

• p-Anisidine
• p-Aminoanisole
• p-Anisylamine
• p-Methoxyaniline
• p-Methoxyphenylamine
• 4-Aminoanisole
• 4-Anisidine
• 4-Methoxyaniline
• 4-Methoxybenzenamine
• 4-Methoxybenzeneamine
• para-Anisidine
• Aniline, p-methoxy-
• Anisole, p-amino-
• 1-Amino-4-methoxybenzene
• 4-Methoxy-1-aminobenzene
• NSC 7921
• 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°	61.41	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	716.21	K	Relay (1.0) Calculated Property
Tfus	[330.35; 331.20]	K
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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.54; 267.51]	J/mol×K	[486.17; 711.90]
Cp,gas	209.54	J/mol×K	486.17	Joback Calculated Property
Cp,gas	220.65	J/mol×K	523.79	Joback Calculated Property
Cp,gas	231.16	J/mol×K	561.41	Joback Calculated Property
Cp,gas	241.09	J/mol×K	599.03	Joback Calculated Property
Cp,gas	250.46	J/mol×K	636.65	Joback Calculated Property
Cp,gas	259.26	J/mol×K	674.27	Joback Calculated Property
Cp,gas	267.51	J/mol×K	711.90	Joback Calculated Property

Similar Compounds

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

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.