Chemical Properties of 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-

InChI

InChI=1S/C14H21NO3/c1-5-11-8-14(18-4)12(9-13(11)17-3)6-7-15-10(2)16/h8-9H,5-7H2,1-4H3,(H,15,16)

InChI Key

KHPRVOGEBSQNRB-UHFFFAOYSA-N

Formula

C14H21NO3

SMILES

CCc1cc(OC)c(CCNC(C)=O)cc1OC

Molecular Weight¹

251.32

Other Names

• 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine, M, N-acetyl

• 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°	-99.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-453.72	kJ/mol	Joback Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	69.02	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	1.945		Crippen Calculated Property
McVol	207.650	ml/mol	McGowan Calculated Property
Pc	2003.70	kPa	Joback Calculated Property
Inp	[2000.00; 2000.00]
Inp	2000.00		NIST
Inp	2000.00		NIST
Tboil	710.22	K	Joback Calculated Property
Tc	911.83	K	Joback Calculated Property
Tfus	458.57	K	Joback Calculated Property
Vc	0.788	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.06; 652.66]	J/mol×K	[710.22; 911.83]
Cp,gas	575.06	J/mol×K	710.22	Joback Calculated Property
Cp,gas	590.14	J/mol×K	743.82	Joback Calculated Property
Cp,gas	604.36	J/mol×K	777.42	Joback Calculated Property
Cp,gas	617.72	J/mol×K	811.02	Joback Calculated Property
Cp,gas	630.23	J/mol×K	844.62	Joback Calculated Property
Cp,gas	641.87	J/mol×K	878.23	Joback Calculated Property
Cp,gas	652.66	J/mol×K	911.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2,5-Dimethoxy-4-ethylphenyl)ethylamine, N-acetyl-.

Sources

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

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