Chemical Properties of Carbonic acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-methylpropyl ester

InChI

InChI=1S/C15H23NO4/c1-11(2)10-20-15(17)16-8-7-12-5-6-13(18-3)14(9-12)19-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17)

InChI Key

HLGVZYNCZIVZNC-UHFFFAOYSA-N

Formula

C15H23NO4

SMILES

COc1ccc(CCN=C(O)OCC(C)C)cc1OC

Molecular Weight¹

281.35

Other Names

• 3,4-Dimethoxyphenethylamine, N-isoBOC

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-621.08	kJ/mol	Joback Calculated Property
ΔvapH°	79.50	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	227.610	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	814.80	K	Joback Calculated Property
Tc	1016.62	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-methylpropyl ester.

Sources

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

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