Chemical Properties of N-(3-Methoxybenzyl)acetamide (CAS 174688-81-4)

InChI

InChI=1S/C10H13NO2/c1-8(12)11-7-9-4-3-5-10(6-9)13-2/h3-6H,7H2,1-2H3,(H,11,12)

InChI Key

QISBKEXGALSAAL-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

COc1cccc(CN=C(C)O)c1

Molecular Weight¹

179.22

CAS

174688-81-4

• 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	-236.69	kJ/mol	Joback Calculated Property
ΔvapH°	63.28	kJ/mol	Joback Calculated Property
log10WS	-2.29		Crippen Calculated Property
logPoct/wat	2.172		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2808.38	kPa	Joback Calculated Property
Inp	[1686.50; 1686.50]
Inp	1686.50		NIST
Inp	1686.50		NIST
Tboil	651.02	K	Joback Calculated Property
Tc	860.75	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(3-Methoxybenzyl)acetamide.

Sources

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

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