Chemical Properties of N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine

InChI

InChI=1S/C12H16INO3/c1-8(15)14-5-4-9-6-12(17-3)10(13)7-11(9)16-2/h6-7H,4-5H2,1-3H3,(H,14,15)

InChI Key

QRPIDJGCEAORLE-UHFFFAOYSA-N

Formula

C12H16INO3

SMILES

COc1cc(CCN=C(C)O)c(OC)cc1I

Molecular Weight¹

349.16

Other Names

• N-acetyl-2C-I
• 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, acetylated

• 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	-356.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.83	kJ/mol	Joback Calculated Property
log10WS	-3.48		Crippen Calculated Property
logPoct/wat	2.827		Crippen Calculated Property
McVol	205.290	ml/mol	McGowan Calculated Property
Pc	2167.36	kPa	Joback Calculated Property
Inp	[2260.00; 2260.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Tboil	822.30	K	Joback Calculated Property
Tc	1046.93	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine.

Sources

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

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