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

InChI

InChI=1S/C16H23NO5/c1-6-12-7-15(21-5)13(8-14(12)20-4)16(22-11(3)19)9-17-10(2)18/h7-8,16H,6,9H2,1-5H3,(H,17,18)

InChI Key

QARTUOCHLVMAOF-UHFFFAOYSA-N

Formula

C16H23NO5

SMILES

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

Molecular Weight¹

309.36

Other Names

• 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (hydroxyl-N-acetyl)-isomer 3, acetylated

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

Physical Properties

Property	Value	Unit	Source
ω	0.8394		Relay (... Calculated Property
ΔfG°	-318.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-890.82	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.41	kJ/mol	Joback Calculated Property
ΔvapH°	102.58	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-2.32		Relay (... Calculated Property
logPoct/wat	2.006		Crippen Calculated Property
McVol	243.270	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Inp	[2500.00; 2500.00]
Inp	2500.00		NIST
Inp	2500.00		NIST
Tboil	612.06	K	Relay (... Calculated Property
Tc	843.48	K	Relay (... Calculated Property
Tfus	372.35	K	Relay (... Calculated Property
Vc	0.877	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.95; 797.55]	J/mol×K	[831.83; 1039.34]
Cp,gas	730.95	J/mol×K	831.83	Joback Calculated Property
Cp,gas	744.89	J/mol×K	866.41	Joback Calculated Property
Cp,gas	757.70	J/mol×K	901.00	Joback Calculated Property
Cp,gas	769.39	J/mol×K	935.58	Joback Calculated Property
Cp,gas	779.93	J/mol×K	970.17	Joback Calculated Property
Cp,gas	789.32	J/mol×K	1004.75	Joback Calculated Property
Cp,gas	797.55	J/mol×K	1039.34	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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