Chemical Properties of Isophthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester

InChI

InChI=1S/C21H25NO3/c1-3-4-5-6-13-25-21(24)18-11-8-10-17(15-18)20(23)22-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3,(H,22,23)

InChI Key

MCSACYHHGVATTE-UHFFFAOYSA-N

Formula

C21H25NO3

SMILES

CCCCCCOC(=O)c1cccc(C(O)=Nc2cccc(C)c2)c1

Molecular Weight¹

339.43

• 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	-351.25	kJ/mol	Joback Calculated Property
ΔvapH°	97.44	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	5.368		Crippen Calculated Property
McVol	278.220	ml/mol	McGowan Calculated Property
Pc	1521.12	kPa	Joback Calculated Property
Inp	[3079.00; 3079.00]
Inp	3079.00		NIST
Inp	3079.00		NIST
Tboil	988.23	K	Joback Calculated Property
Tc	1217.36	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester.

Sources

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

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