Chemical Properties of Benzeneethanamine, 4-methoxy- (CAS 55-81-2)

InChI

InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3

InChI Key

LTPVSOCPYWDIFU-UHFFFAOYSA-N

Formula

C9H13NO

SMILES

COc1ccc(CCN)cc1

Molecular Weight¹

151.21

CAS

55-81-2

Other Names

• Phenethylamine, p-methoxy-
• p-Methoxyphenethylamine
• p-Methoxyphenylethylamine
• Homoanisylamine
• Tyramine, O-methyl-
• 2-(p-Methoxyphenyl)ethylamine
• 2-(4-Methoxyphenyl)ethylamine
• 4-Methoxy-«beta»-phenylethylamine
• 4-Methoxy-2-phenethylamine
• 4-Methoxybenzeneethanamine
• 4-Methoxyphenethylamine
• 4-Methoxyphenylethylamine
• USAF EL-52
• NSC 43687

• 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_boilr : Boiling point at reduced pressure (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	-92.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.10	kJ/mol	Joback Calculated Property
ΔvapH°	66.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.16 ± 0.08	eV	NIST
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.196		Crippen Calculated Property
McVol	129.760	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1318.80; 1318.80]
Inp	1318.80		NIST
Inp	1318.80		NIST
Tboil	528.70	K	Relay (1.0) Calculated Property
Tc	724.05	K	Relay (1.0) Calculated Property
Tfus	331.50	K	Relay (1.0) Calculated Property

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.48; 416.55]	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			7.09200e+00
Coefficient B			7.19120e-01
Coefficient C			-3.62360e-04
Coefficient D			5.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.48	J/mol×K	273.00	Calculated Property
Cp,gas	218.48	J/mol×K	353.78	Calculated Property
Cp,gas	255.49	J/mol×K	434.56	Calculated Property
Cp,gas	288.66	J/mol×K	515.33	Calculated Property
Cp,gas	318.17	J/mol×K	596.11	Calculated Property
Cp,gas	344.17	J/mol×K	676.89	Calculated Property
Cp,gas	366.85	J/mol×K	757.67	Calculated Property
Cp,gas	386.36	J/mol×K	838.44	Calculated Property
Cp,gas	402.87	J/mol×K	919.22	Calculated Property
Cp,gas	416.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine, 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.
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