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

InChI

InChI=1S/C20H23NO3/c1-3-4-5-12-24-20(23)17-10-7-9-16(14-17)19(22)21-18-11-6-8-15(2)13-18/h6-11,13-14H,3-5,12H2,1-2H3,(H,21,22)

InChI Key

HHUAMJHWANZNIZ-UHFFFAOYSA-N

Formula

C20H23NO3

SMILES

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

Molecular Weight¹

325.40

• 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	-330.61	kJ/mol	Joback Calculated Property
ΔvapH°	95.22	kJ/mol	Joback Calculated Property
log10WS	-5.55		Crippen Calculated Property
logPoct/wat	4.978		Crippen Calculated Property
McVol	264.130	ml/mol	McGowan Calculated Property
Pc	1641.76	kPa	Joback Calculated Property
Inp	[2969.00; 2969.00]
Inp	2969.00		NIST
Inp	2969.00		NIST
Tboil	965.35	K	Joback Calculated Property
Tc	1193.64	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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